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Google Keyword Rankings for : cecam workshop 2012 free energy
1
Free energy calculations : From theory to applications - CECAM
https://www.cecam.org/workshop-details/710
The goal of this workshop is to survey the state of the art and foster progress in the field of bimolecular recognition, with particular focus ...
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https://www.cecam.org/workshop-details/710
The goal of this workshop is to survey the state of the art and foster progress in the field of bimolecular recognition, with particular focus ...
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2
CECAM workshop: Free energy calculations
https://cermics.enpc.fr/~lelievre/CECAM/CECAM.html
CECAM workshop. Free energy calculations: From theory to applications. June 4th - 8th 2012, Ecole des Ponts ParisTech. To understand fully the vast majority ...
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https://cermics.enpc.fr/~lelievre/CECAM/CECAM.html
CECAM workshop. Free energy calculations: From theory to applications. June 4th - 8th 2012, Ecole des Ponts ParisTech. To understand fully the vast majority ...
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3
CECAM - Workshop details
http://qtp.ufl.edu/ofdft/news/CECAMWorkshop2012Agenda.pdf
ABOUT CECAM. PEOPLE. ACTIVITIES. Workshops ... Orbital-free approach for high energy density physics. September 5, 2012 to September 7, 2012.
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http://qtp.ufl.edu/ofdft/news/CECAMWorkshop2012Agenda.pdf
ABOUT CECAM. PEOPLE. ACTIVITIES. Workshops ... Orbital-free approach for high energy density physics. September 5, 2012 to September 7, 2012.
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4
The Roots of Bio‐Molecular Simulation: The Eight‐Week ...
https://onlinelibrary.wiley.com/doi/10.1002/hlca.201800239
The CECAM workshop resulted in the first molecular dynamics ... to compute free energy and entropy, to refine protein structure based on NMR ...
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https://onlinelibrary.wiley.com/doi/10.1002/hlca.201800239
The CECAM workshop resulted in the first molecular dynamics ... to compute free energy and entropy, to refine protein structure based on NMR ...
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5
Pratt-CV.pdf - Tulane School of Science and Engineering
https://sse.tulane.edu/sites/default/files/Pratt-CV.pdf
CECAM Workshop “Continuing challenges in free energy calculations: Theory and ... American Chemical Society National Meeting, San Diego, March 2012.
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https://sse.tulane.edu/sites/default/files/Pratt-CV.pdf
CECAM Workshop “Continuing challenges in free energy calculations: Theory and ... American Chemical Society National Meeting, San Diego, March 2012.
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6
MICHAEL R. SHIRTS - University of Colorado Boulder
https://www.colorado.edu/chbe/content/michael-shirts-cv
2012. American Chemical Society COMP OpenEye Outstanding Junior Faculty Award ... CECAM Workshop, “Free Energy Calculations: From Theory to Applications,” ...
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https://www.colorado.edu/chbe/content/michael-shirts-cv
2012. American Chemical Society COMP OpenEye Outstanding Junior Faculty Award ... CECAM Workshop, “Free Energy Calculations: From Theory to Applications,” ...
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7
David Kofke CV 2021
https://engineering.buffalo.edu/content/dam/engineering/chemical-biological/facultycv/DAvid%20Kofke%20CV.pdf
Profiled in Chemical Engineering Education, Summer 2012 ... Crystalline Phases”, CECAM workshop on Free Energy Calculations: From Theory to.
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https://engineering.buffalo.edu/content/dam/engineering/chemical-biological/facultycv/DAvid%20Kofke%20CV.pdf
Profiled in Chemical Engineering Education, Summer 2012 ... Crystalline Phases”, CECAM workshop on Free Energy Calculations: From Theory to.
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8
Conferences page on SklogWiki - a wiki for statistical ...
http://www.sklogwiki.org/SklogWiki/index.php/Conferences
The following is a chronological list of conferences, seminars, workshops, ... Free energy calculations: From theory to applications June 4-8 (2012) ...
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http://www.sklogwiki.org/SklogWiki/index.php/Conferences
The following is a chronological list of conferences, seminars, workshops, ... Free energy calculations: From theory to applications June 4-8 (2012) ...
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9
1 of 22 - SimBac – simulations of bacterial systems
https://simbac.gatech.edu/GumbartCV-09-21-web.pdf
CECAM Workshop on Free energy calculations: From theory to applications, 2012. Paris,. France. 4) Aug. 2011: Determining structures of membrane proteins ...
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https://simbac.gatech.edu/GumbartCV-09-21-web.pdf
CECAM Workshop on Free energy calculations: From theory to applications, 2012. Paris,. France. 4) Aug. 2011: Determining structures of membrane proteins ...
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10
Events – MATHERIALS
https://team.inria.fr/matherials/events/
... november 2012; CECAM workshop “Free energy calculations: From theory to applications” (co-organized by Tony Lelièvre), Ecole des Ponts, 4-8 june 2012 ...
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https://team.inria.fr/matherials/events/
... november 2012; CECAM workshop “Free energy calculations: From theory to applications” (co-organized by Tony Lelièvre), Ecole des Ponts, 4-8 june 2012 ...
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11
Travis Sjostrom - Los Alamos National Laboratory
https://www.lanl.gov/search-capabilities/_documents/curriculum-vitae/travis-sjostrom-cv.pdf
CECAM workshop: Orbital-free approach for high energy density physics, Sept. 2012 (Invited) Paris. Exchange-Correlation free energy functionals.
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https://www.lanl.gov/search-capabilities/_documents/curriculum-vitae/travis-sjostrom-cv.pdf
CECAM workshop: Orbital-free approach for high energy density physics, Sept. 2012 (Invited) Paris. Exchange-Correlation free energy functionals.
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12
Lectures and Talks
https://www.ks.uiuc.edu/Services/Lectures/lectures.cgi?year=2012
June 2012, Paris, France, CECAM workshop on Free energy calculations: From theory to applications. Lecture: “Modeling small solute transport using ...
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https://www.ks.uiuc.edu/Services/Lectures/lectures.cgi?year=2012
June 2012, Paris, France, CECAM workshop on Free energy calculations: From theory to applications. Lecture: “Modeling small solute transport using ...
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13
origins and consequences of the 1983 CECAM workshop
https://www.youtube.com/watch?v=-oqN-bMnPjs
Cecam Channel
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https://www.youtube.com/watch?v=-oqN-bMnPjs
Cecam Channel
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14
MolSim-2012: School on Molecular Simulation (Amsterdam, NL)
http://www.ccl.net/cca/info/conferencelist/mess0016584.html
For full information and application see http://www.cecam.org/workshop-699.html The registration closes on November 26, 2011.
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http://www.ccl.net/cca/info/conferencelist/mess0016584.html
For full information and application see http://www.cecam.org/workshop-699.html The registration closes on November 26, 2011.
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15
Molecular Modeling and Drug Design
http://www.drugdesign.gr/
December 2017: Our review on Free Energy Perturbation calculations is out! and is ... December 2012: Zoe Cournia is a co-organizer in the CECAM workshop: ...
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http://www.drugdesign.gr/
December 2017: Our review on Free Energy Perturbation calculations is out! and is ... December 2012: Zoe Cournia is a co-organizer in the CECAM workshop: ...
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16
CECAM – Workshop - Psi-k
https://psi-k.net/download/01_CECAM-PCPV_Abstract-book.pdf
Program of the International CECAM-Workshop ... Non-adiabatic dynamics of charge and energy transfer at nanoscale interfaces ... 112, 321–370 (2012).
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https://psi-k.net/download/01_CECAM-PCPV_Abstract-book.pdf
Program of the International CECAM-Workshop ... Non-adiabatic dynamics of charge and energy transfer at nanoscale interfaces ... 112, 321–370 (2012).
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17
Free Energy Calculations. The Long and Winding Gilded Road
https://www.tandfonline.com/doi/abs/10.1080/08927020211974
The fourth workshop on free energy calculations held at the Centre Européen de Calcul Atomique et Moléculaire (CECAM) in Lyon, ...
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https://www.tandfonline.com/doi/abs/10.1080/08927020211974
The fourth workshop on free energy calculations held at the Centre Européen de Calcul Atomique et Moléculaire (CECAM) in Lyon, ...
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18
Cirriculum Vitae - James F. Lutsko
http://lutsko.com/cv/
Co-organizer of 2019 CECAM workshop “Fundamentals of Density Functional Theory for T> ... methods based on effective free energy models”, (Lausanne, 2008).
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http://lutsko.com/cv/
Co-organizer of 2019 CECAM workshop “Fundamentals of Density Functional Theory for T> ... methods based on effective free energy models”, (Lausanne, 2008).
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19
Talks - Simulation of Self Assembly
http://www-selfassembly.ch.cam.ac.uk/talks.html
David Wales delivered a series of lectures on energy landscapes as a Visiting Professor. 21 to 23 May 2012: CECAM Workshop on Anchoring Simulations to ...
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http://www-selfassembly.ch.cam.ac.uk/talks.html
David Wales delivered a series of lectures on energy landscapes as a Visiting Professor. 21 to 23 May 2012: CECAM Workshop on Anchoring Simulations to ...
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20
Oostenbrink Chris - BOKU - Universität für Bodenkultur Wien
https://forschung.boku.ac.at/fis/suchen.person_praesentationen?sprache_in=en&menue_id_in=105&id_in=100188
Oostenbrink, Ch; (2021): Free energies from molecular simulations: force fields ... CeCAM Workshop Challenges across Large-Scale Biomolecular and Polymer ...
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https://forschung.boku.ac.at/fis/suchen.person_praesentationen?sprache_in=en&menue_id_in=105&id_in=100188
Oostenbrink, Ch; (2021): Free energies from molecular simulations: force fields ... CeCAM Workshop Challenges across Large-Scale Biomolecular and Polymer ...
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21
www.fsu.edu/cvdb/YYANG2.rtf
http://www.fsu.edu/cvdb/YYANG2.rtf
Generalized ensemble sampling of enzyme reaction free energy pathways. ... Yang, W. (2014, June). the CECAM Tutorial Workshop on "Advances in Biomolecular ...
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http://www.fsu.edu/cvdb/YYANG2.rtf
Generalized ensemble sampling of enzyme reaction free energy pathways. ... Yang, W. (2014, June). the CECAM Tutorial Workshop on "Advances in Biomolecular ...
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22
Wilfred van Gunsteren: 35 Years of Biomolecular Simulation
https://pubs.acs.org/doi/pdf/10.1021/ct300692s
started at the 1976 CECAM workshop with elements from the ... Approaches to enhance free-energy calculations were introduced,.
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https://pubs.acs.org/doi/pdf/10.1021/ct300692s
started at the 1976 CECAM workshop with elements from the ... Approaches to enhance free-energy calculations were introduced,.
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23
Recent & Upcoming Presentations - Yale Chemistry
http://ursula.chem.yale.edu/~batista/presentations.html
July 11-July 13, 2018: CECAM Workshop: Frontiers and challenges of ... Mar 18-Mar 22, 2018: "Computational Catalyst Design for Energy Conversion and ...
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http://ursula.chem.yale.edu/~batista/presentations.html
July 11-July 13, 2018: CECAM Workshop: Frontiers and challenges of ... Mar 18-Mar 22, 2018: "Computational Catalyst Design for Energy Conversion and ...
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24
Theoretical & Computational Nano-Bio Physics - buchete
https://sites.google.com/site/buchete/home5323
June 5 - 8, 2012: Applications are invited to attend our CECAM Tutorial "Advances in ... 5-9, 2015, Summer Snowmass Biophysics Workshop, “Free Energy ...
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https://sites.google.com/site/buchete/home5323
June 5 - 8, 2012: Applications are invited to attend our CECAM Tutorial "Advances in ... 5-9, 2015, Summer Snowmass Biophysics Workshop, “Free Energy ...
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25
Curriculum Vitae of Giovanni Bussi - ANVUR
https://anvur.it/CV2022/VQR-CV/CV_BUSSI_Giovanni_15995.pdf
Organizer and tutor for the CECAM tutorial “Free-energy calculations with ... within the First International Workshop on Computational Biophysics (IWCBP-1),.
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https://anvur.it/CV2022/VQR-CV/CV_BUSSI_Giovanni_15995.pdf
Organizer and tutor for the CECAM tutorial “Free-energy calculations with ... within the First International Workshop on Computational Biophysics (IWCBP-1),.
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26
State-of-the art workshop: Challenges in Multiphase Flows
https://www.e-cam2020.eu/legacy_event/state-of-the-art-workshop-challenges-in-multiphase-flows/
If you are interested in attending this event, please visit the CECAM website ... set approaches [4-6] and methods based upon a Cahn-Hilliard free energy, ...
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https://www.e-cam2020.eu/legacy_event/state-of-the-art-workshop-challenges-in-multiphase-flows/
If you are interested in attending this event, please visit the CECAM website ... set approaches [4-6] and methods based upon a Cahn-Hilliard free energy, ...
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27
Curriculum Vitae - Boston University
https://sites.bu.edu/cui-group/files/2018/07/CV_Feb_16_2018_web.pdf
Snowmass workshop on free energy simulations. Snowmass, CO ... 2012 Organizer (with M. Meuwly, M. Elstner), CECAM Workshop on “Protein Dynamics”.
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https://sites.bu.edu/cui-group/files/2018/07/CV_Feb_16_2018_web.pdf
Snowmass workshop on free energy simulations. Snowmass, CO ... 2012 Organizer (with M. Meuwly, M. Elstner), CECAM Workshop on “Protein Dynamics”.
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28
Curriculum Vitae CHRISTOPHER JARZYNSKI Distinguished ...
https://umdphysics.umd.edu/images/CV/Jarzynski_CV19.pdf
Invited Speaker, CECAM Meeting. Continuing Challenges in Free Energy Calculations. Lyon, France, May 12 - 14, 2004. • Invited Speaker, Workshop on Quantum ...
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https://umdphysics.umd.edu/images/CV/Jarzynski_CV19.pdf
Invited Speaker, CECAM Meeting. Continuing Challenges in Free Energy Calculations. Lyon, France, May 12 - 14, 2004. • Invited Speaker, Workshop on Quantum ...
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29
CECAM Workshop "Atomistic simulation in prebiotic chemistry ...
https://prebiochem.sciencesconf.org/
In the last 60 years various prebiotic scenarios have been suggested differing in the type of energy used for the synthesis: e.g. UV irradiation both in ...
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https://prebiochem.sciencesconf.org/
In the last 60 years various prebiotic scenarios have been suggested differing in the type of energy used for the synthesis: e.g. UV irradiation both in ...
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30
Johannes Schöneberg - Max-Planck-Gesellschaft
https://www.molgen.mpg.de/3486919/johannesschoeneberg
08-10 Dec 2012, GPU-programming course "CUDA" at HLRS, Stuttgart, Germany ... by using conformation sampling and free energy computation, TComB Group, ...
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https://www.molgen.mpg.de/3486919/johannesschoeneberg
08-10 Dec 2012, GPU-programming course "CUDA" at HLRS, Stuttgart, Germany ... by using conformation sampling and free energy computation, TComB Group, ...
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31
Talks - Soft Matter Theory - TU Wien
http://smt.tuwien.ac.at/publications/talks.htm
"Free energy landscapes for dendrimer-like DNAs via neural networks" ... C. N. Likos, September 24-27 2018, CECAM Workshop (invited talk), Vienna (Austria).
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http://smt.tuwien.ac.at/publications/talks.htm
"Free energy landscapes for dendrimer-like DNAs via neural networks" ... C. N. Likos, September 24-27 2018, CECAM Workshop (invited talk), Vienna (Austria).
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32
ANDREW L. FERGUSON
https://www.ferglab.com/wp-content/uploads/2021/01/Ferguson_CV.pdf
"Direct comparison of experimental and theoretical free energy surfaces for macromolecular folding" CECAM. Workshop: Controlling food protein folding and ...
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https://www.ferglab.com/wp-content/uploads/2021/01/Ferguson_CV.pdf
"Direct comparison of experimental and theoretical free energy surfaces for macromolecular folding" CECAM. Workshop: Controlling food protein folding and ...
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33
Talks | jain-lab
https://www.nanogold.org/talks
Invited talk, CECAM workshop on Light-matter interaction and ultrafast nonequilibrium ... Harvesting the free energy of light by plasmonic excitation.
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https://www.nanogold.org/talks
Invited talk, CECAM workshop on Light-matter interaction and ultrafast nonequilibrium ... Harvesting the free energy of light by plasmonic excitation.
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34
Talks, conference organization - Dr. Jedlovszky Pál
https://jedlovszkypal.uni-eszterhazy.hu/en/scientific/talks-conference-organization
Physics and Chemistry at Fluid-Fluid Interfaces, CECAM Workshop, 11-13 Dec. ... Calculation of the free energy of mixing of two neat liquids in computer ...
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https://jedlovszkypal.uni-eszterhazy.hu/en/scientific/talks-conference-organization
Physics and Chemistry at Fluid-Fluid Interfaces, CECAM Workshop, 11-13 Dec. ... Calculation of the free energy of mixing of two neat liquids in computer ...
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35
Curriculum — Meloni Simone - Docenti Unife
https://docente.unife.it/simone.meloni/curr
Leader of the team "Nanomaterials for Energy and ICT applications" of the ... CECAM Workshop “Free energy calculations: from theory to applications”, ...
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https://docente.unife.it/simone.meloni/curr
Leader of the team "Nanomaterials for Energy and ICT applications" of the ... CECAM Workshop “Free energy calculations: from theory to applications”, ...
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36
The Eight‐Week CECAM Workshop 'Models for Protein ...
https://www.researchgate.net/publication/334500580_The_Roots_of_Bio-Molecular_Simulation_The_Eight-Week_CECAM_Workshop_'Models_for_Protein_Dynamics'_of_1976
Request PDF | The Roots of Bio‐Molecular Simulation: The Eight‐Week CECAM Workshop 'Models for Protein Dynamics' of 1976 | This year, the Centre Européen de ...
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https://www.researchgate.net/publication/334500580_The_Roots_of_Bio-Molecular_Simulation_The_Eight-Week_CECAM_Workshop_'Models_for_Protein_Dynamics'_of_1976
Request PDF | The Roots of Bio‐Molecular Simulation: The Eight‐Week CECAM Workshop 'Models for Protein Dynamics' of 1976 | This year, the Centre Européen de ...
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37
1 Curriculum Vitae for ARIEH WARSHEL PERSONAL Born ...
https://dornsife.usc.edu/tools/mytools/PersonnelInfoSystem/DOC/Faculty/CHEM/vita_1003811.pdf
CECAM Workshop on Nucleic Acids, Orsay, France, July, ... ACS Symposium on Free Energy Perturbation Methods, New Orleans, September,.
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https://dornsife.usc.edu/tools/mytools/PersonnelInfoSystem/DOC/Faculty/CHEM/vita_1003811.pdf
CECAM Workshop on Nucleic Acids, Orsay, France, July, ... ACS Symposium on Free Energy Perturbation Methods, New Orleans, September,.
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38
Travel Award Program
http://mcc.illinois.edu/travel/
Awardees participated in workshops in 15 countries and regions: Austria, Brazil, ... Free Energy Workshop '15: Computing Free Energy Across ...
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http://mcc.illinois.edu/travel/
Awardees participated in workshops in 15 countries and regions: Austria, Brazil, ... Free Energy Workshop '15: Computing Free Energy Across ...
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39
Michel Alain Cuendet - SIB Pages
https://pages.sib.swiss/people/Michel.Cuendet/downloads/CV_Michel_Cuendet.pdf
Molecular dynamics simulation with focus on non-equilibrium free energy methods. ... Mechanisms in Proteins", CECAM Workshop: Multiscale Simulations of.
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https://pages.sib.swiss/people/Michel.Cuendet/downloads/CV_Michel_Cuendet.pdf
Molecular dynamics simulation with focus on non-equilibrium free energy methods. ... Mechanisms in Proteins", CECAM Workshop: Multiscale Simulations of.
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40
Invited Talks | Malcolm I. McMahon
https://mimcmahon.com/publications/invited-presentations-at-international-conferencesschools/
HEDS 2022: International Conference on High Energy Density Science 2022, ... 2013; CECAM Workshop on “New Insights on Metals Under Extreme Conditions”, ...
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https://mimcmahon.com/publications/invited-presentations-at-international-conferencesschools/
HEDS 2022: International Conference on High Energy Density Science 2022, ... 2013; CECAM Workshop on “New Insights on Metals Under Extreme Conditions”, ...
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41
Tamar Schlick
http://monod.biomath.nyu.edu/biomath/index/people/tamar_presentations.html
Chromatin structure and dynamics workshop, Telluride, CO (2012) ... Mathematical and Numerical Methods for Free Energy Calculations, Christophe Chipot and ...
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http://monod.biomath.nyu.edu/biomath/index/people/tamar_presentations.html
Chromatin structure and dynamics workshop, Telluride, CO (2012) ... Mathematical and Numerical Methods for Free Energy Calculations, Christophe Chipot and ...
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42
Curriculum Vitae Derek Stein - Researchers @ Brown
https://vivo.brown.edu/docs/d/ds1_cv.pdf
“Controlling the Conformations and Transport of DNA by Free Energy Landscaping”, Elijah ... CECAM workshop “Nanofluidics in physics and biology”.
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https://vivo.brown.edu/docs/d/ds1_cv.pdf
“Controlling the Conformations and Transport of DNA by Free Energy Landscaping”, Elijah ... CECAM workshop “Nanofluidics in physics and biology”.
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43
Jasna Brujić
https://s18798.pcdn.co/brujiclab/wp-content/uploads/sites/7775/2017/08/CVJBAugust2017.pdf
France, June 2012. 46) Reconstructing free energy landscapes from nonequilibrium relaxation trajectories, Cecam. Workshop: Free energy calculation: From ...
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https://s18798.pcdn.co/brujiclab/wp-content/uploads/sites/7775/2017/08/CVJBAugust2017.pdf
France, June 2012. 46) Reconstructing free energy landscapes from nonequilibrium relaxation trajectories, Cecam. Workshop: Free energy calculation: From ...
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44
CoMSEF Newsletter
http://comsef.org/sites/comsef.org/files/2017-04-CoMSEF.pdf
CoMSEF Workshop: Hands-on with Molecular Simulation ... Wenzel state due to large free energy barriers associated with the unfavorable ...
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http://comsef.org/sites/comsef.org/files/2017-04-CoMSEF.pdf
CoMSEF Workshop: Hands-on with Molecular Simulation ... Wenzel state due to large free energy barriers associated with the unfavorable ...
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45
Ching-Hwa Kiang Research Group
https://chkiang.rice.edu/presentations/index.html
"Mechanical Control and Free Energy Landscapes of Single Protein and DNA ... and Molecular Computations (CECAM) workshop: Theory of Single Molecule Force ...
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https://chkiang.rice.edu/presentations/index.html
"Mechanical Control and Free Energy Landscapes of Single Protein and DNA ... and Molecular Computations (CECAM) workshop: Theory of Single Molecule Force ...
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46
Thomas L Beck - UC Research Directory
https://researchdirectory.uc.edu/p/becktl
... Parsegian of NIH CECAM workshop on Real Space methods in Electronic Structure Calculations Sanibel Symposium- organized a session on ion channels.
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https://researchdirectory.uc.edu/p/becktl
... Parsegian of NIH CECAM workshop on Real Space methods in Electronic Structure Calculations Sanibel Symposium- organized a session on ion channels.
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47
Kepp Research
http://kpje.com/
thermochemically consistent free energies of solvated ions (with W. L. Jorgensen, Yale, 2006, ... the role of metal ions in Alzheimer's disease (2012-),
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http://kpje.com/
thermochemically consistent free energies of solvated ions (with W. L. Jorgensen, Yale, 2006, ... the role of metal ions in Alzheimer's disease (2012-),
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48
Publications - Matthias Rupp
https://www.mrupp.info/publications.html
Matthias Rupp: Accurate Energy Predictions for Materials and Molecules via Machine Learning, CECAM Workshop on Improving the Accuracy of Ab-Initio ...
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https://www.mrupp.info/publications.html
Matthias Rupp: Accurate Energy Predictions for Materials and Molecules via Machine Learning, CECAM Workshop on Improving the Accuracy of Ab-Initio ...
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49
Theoretical and computational studies of non-equilibrium and ...
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5360905/
(i) non-RRKM, where the internal vibrational energy redistribution is not ... In the CECAM workshop related to the present themed issue, ...
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https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5360905/
(i) non-RRKM, where the internal vibrational energy redistribution is not ... In the CECAM workshop related to the present themed issue, ...
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50
Michele Ceriotti - Ecole Polytechnique Federale de Lausanne
https://epfl.academia.edu/MicheleCeriotti/CurriculumVitae
CECAM Workshop “Quantum Monte Carlo meets Quantum Chemistry”, ... “Simplifying the representation of complex free-energy landscapes using sketch-map”, ...
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https://epfl.academia.edu/MicheleCeriotti/CurriculumVitae
CECAM Workshop “Quantum Monte Carlo meets Quantum Chemistry”, ... “Simplifying the representation of complex free-energy landscapes using sketch-map”, ...
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51
Publications | cecam
https://www.cecam.sites.tau.ac.il/publications
Additionally, high energy physics and relativistic effects have recently been ... The purpose of this workshop is to bring together leading scientists from ...
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https://www.cecam.sites.tau.ac.il/publications
Additionally, high energy physics and relativistic effects have recently been ... The purpose of this workshop is to bring together leading scientists from ...
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52
Publications and Communications - Florent Hédin
https://fhedin.com/?page_id=12
Oct. 2017 Performance and Free Energy Estimation for Solvated Polypeptides ... June 2017, Poster, CECAM workshop, Beyond Kds: New computational methods to ...
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https://fhedin.com/?page_id=12
Oct. 2017 Performance and Free Energy Estimation for Solvated Polypeptides ... June 2017, Poster, CECAM workshop, Beyond Kds: New computational methods to ...
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53
Jürg Hutter - Talks & Posters - UZH - Department of Chemistry
https://www.chem.uzh.ch/en/research/groups/hutter/talks-posters.html
Vladimir Rybkin, 01.2020: Workshop on "Total Energy and Force Methods", San Sebastian, ... 2016: CECAM Workshop: Interface processes in photochemical water ...
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https://www.chem.uzh.ch/en/research/groups/hutter/talks-posters.html
Vladimir Rybkin, 01.2020: Workshop on "Total Energy and Force Methods", San Sebastian, ... 2016: CECAM Workshop: Interface processes in photochemical water ...
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54
Invited Talks - MMBioS - University of Pittsburgh
http://mmbios.pitt.edu/component/content/article/38-software/aligntk/117-examples5
September 17, 2021: CECAM Workshop on "Quantifying Protein Dynamics and ... The Workshop for Free Energy Calculations: Three Decades of Adventure in ...
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http://mmbios.pitt.edu/component/content/article/38-software/aligntk/117-examples5
September 17, 2021: CECAM Workshop on "Quantifying Protein Dynamics and ... The Workshop for Free Energy Calculations: Three Decades of Adventure in ...
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55
Curriculum Vitae – Stephen D. Bond
https://www.sandia.gov/-sdbond/curriculum-vitae/
July 27 – 29, 2009, CECAM Workshop on Fundamental Aspects of Deterministic ... June 15 – 20, 2008, Mathematical and Numerical Methods for Free Energy ...
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https://www.sandia.gov/-sdbond/curriculum-vitae/
July 27 – 29, 2009, CECAM Workshop on Fundamental Aspects of Deterministic ... June 15 – 20, 2008, Mathematical and Numerical Methods for Free Energy ...
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56
Tony LELIEVRE - Ecole des Ponts ParisTech
https://ecoledesponts.fr/sites/ecoledesponts.fr/files/documents/cv_tony_lelievrev21.pdf
Ordway visiting professor 2012-2013, University of Minnesota. ... Co-organizer of a CECAM workshop on Free energy calculations : From theory to.
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https://ecoledesponts.fr/sites/ecoledesponts.fr/files/documents/cv_tony_lelievrev21.pdf
Ordway visiting professor 2012-2013, University of Minnesota. ... Co-organizer of a CECAM workshop on Free energy calculations : From theory to.
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57
Frank Noé - Curriculum Vitae
https://www.mi.fu-berlin.de/en/math/groups/ai4s/resourcen/2017_cv_noe_web.pdf
2009 - 2012. Acquired and served as a Founding Director of the CECAM node at FU Berlin. 2012 -. Faculty Member, Berlin Mathematical School (BMS).
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https://www.mi.fu-berlin.de/en/math/groups/ai4s/resourcen/2017_cv_noe_web.pdf
2009 - 2012. Acquired and served as a Founding Director of the CECAM node at FU Berlin. 2012 -. Faculty Member, Berlin Mathematical School (BMS).
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58
Curriculum Vitae Margaret E. Johnson - Krieger Web Services
https://sites.krieger.jhu.edu/johnson-lab/files/2021/06/cv_WEB.pdf
Thermodynamics and free energy landscape of BAR-domain dimerization from ... CECAM Workshop: Numerical Techniques for Nonequilibrium Steady-States.
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https://sites.krieger.jhu.edu/johnson-lab/files/2021/06/cv_WEB.pdf
Thermodynamics and free energy landscape of BAR-domain dimerization from ... CECAM Workshop: Numerical Techniques for Nonequilibrium Steady-States.
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59
C3 - D-CHAB - ETH Zürich
https://chab.ethz.ch/en/the-department/people/emeriti/person-detail/person.person_cv.pdf?persid=78361
CECAM Workshop on Starting Structures for Polymer Simulation (Paris, France) ... Workshop on free energy calculations (Snowmass, USA).
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https://chab.ethz.ch/en/the-department/people/emeriti/person-detail/person.person_cv.pdf?persid=78361
CECAM Workshop on Starting Structures for Polymer Simulation (Paris, France) ... Workshop on free energy calculations (Snowmass, USA).
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60
https://is.muni.cz/cv/cv?lang=en;uco=115936;zjazyk...
https://is.muni.cz/cv/cv?lang=en;uco=115936;zjazyk=eng;varianta=14;tiskproh=msword
Investigation and application of novel free energy calculations ... 2013 TAPPO workshop, Levi, Finland; 2012 CECAM workshop - Design of Self-assembling ...
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https://is.muni.cz/cv/cv?lang=en;uco=115936;zjazyk=eng;varianta=14;tiskproh=msword
Investigation and application of novel free energy calculations ... 2013 TAPPO workshop, Levi, Finland; 2012 CECAM workshop - Design of Self-assembling ...
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61
Untitled
https://carnevalelab.org/CV-enzo.html
CECAM workshop “Ion Transport from Physics to Physiology: the Missing ... From Fitness to Free Energy Landscapes and Back”, Philadelphia May 4th, 2018.
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https://carnevalelab.org/CV-enzo.html
CECAM workshop “Ion Transport from Physics to Physiology: the Missing ... From Fitness to Free Energy Landscapes and Back”, Philadelphia May 4th, 2018.
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62
Prof. Dr. Mag. Christoph Dellago
https://comp-phys.univie.ac.at/fileadmin/user_upload/i_com_physik/Webpage_Dellago/CV_Dellago.pdf
Organizer of the CECAM Workshop "Characterizing and Studying Transition Mechanisms ... Free Energy Calculations, Springer Series in Chemical Physics Vol.
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https://comp-phys.univie.ac.at/fileadmin/user_upload/i_com_physik/Webpage_Dellago/CV_Dellago.pdf
Organizer of the CECAM Workshop "Characterizing and Studying Transition Mechanisms ... Free Energy Calculations, Springer Series in Chemical Physics Vol.
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63
Joseph A. Morrone - IBM Research
https://researcher.watson.ibm.com/researcher/view_person_subpage.php?id=7279
Workshop on Free Energy Methods in Drug Design: Targeting Cancer, ... 2012. CECAM School on path integral molecular dynamics, Toulouse, ...
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https://researcher.watson.ibm.com/researcher/view_person_subpage.php?id=7279
Workshop on Free Energy Methods in Drug Design: Targeting Cancer, ... 2012. CECAM School on path integral molecular dynamics, Toulouse, ...
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64
People Presentations
https://www.iqst.ca/presentations/peoplepresent.php?aid=870
29 Jun 2019, D. R. Salahub, Towards free-energy profiles for nano-catalyzed chemical ... CECAM Workshop on Structure Prediction of Nanoclusters from Global ...
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https://www.iqst.ca/presentations/peoplepresent.php?aid=870
29 Jun 2019, D. R. Salahub, Towards free-energy profiles for nano-catalyzed chemical ... CECAM Workshop on Structure Prediction of Nanoclusters from Global ...
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65
Curriculum Vitae of Carlo Pierleoni Degrees and Academic career ...
https://www.dsfc.univaq.it/images/docs/dipartimento/persone/CV_CPierleoni_en.pdf
CECAM workshop on “Ab-Initio Simulation Method beyond Density Functional ... to compute free energies [97, 96, 95, 94, 93, 92, 91, 90, 89, 86, 83, 82, 80, ...
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https://www.dsfc.univaq.it/images/docs/dipartimento/persone/CV_CPierleoni_en.pdf
CECAM workshop on “Ab-Initio Simulation Method beyond Density Functional ... to compute free energies [97, 96, 95, 94, 93, 92, 91, 90, 89, 86, 83, 82, 80, ...
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66
Computational and Theoretical Modeling of Active Nematics in ...
https://www.brandeis.edu/physics/cv-mfh-2-2022-2.pdf
1/2007-12/2012 ... Department of Energy, Basic Energy Sciences ... CECAM workshop, The Physics of Protein Self-Assembly, Lausanne, Switzerland June 2015.
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https://www.brandeis.edu/physics/cv-mfh-2-2022-2.pdf
1/2007-12/2012 ... Department of Energy, Basic Energy Sciences ... CECAM workshop, The Physics of Protein Self-Assembly, Lausanne, Switzerland June 2015.
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67
CECAM Lectures
https://cecam.aalto.fi/cecam-fi/cecam-lectures/
CECAM Lectures. CECAM Lectures. CECAM MARVEL Classics ... Free-energy of solids: origins and consequences of the 1983 CECAM workshop.
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https://cecam.aalto.fi/cecam-fi/cecam-lectures/
CECAM Lectures. CECAM Lectures. CECAM MARVEL Classics ... Free-energy of solids: origins and consequences of the 1983 CECAM workshop.
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68
Cournia Lab - BRFAA - Biomedical Research Foundation ...
http://www.bioacademy.gr/lab/cournia/H8OK/news
February 2013: Read our latest paper on Free Energy Calculations on ihibitors of the ... December 2012: Zoe Cournia is a co-organizer in the CECAM workshop: ...
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http://www.bioacademy.gr/lab/cournia/H8OK/news
February 2013: Read our latest paper on Free Energy Calculations on ihibitors of the ... December 2012: Zoe Cournia is a co-organizer in the CECAM workshop: ...
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69
Talks and Workshops - University of Warwick
https://warwick.ac.uk/fac/sci/eng/people/james_kermode/talks/
2012 · Nov 2012 Invited talk at ADGLASS workshop Atomistic modelling for Industrial Product Development, Bremen. · Sept 2012 Invited talk at CECAM workshop on ...
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https://warwick.ac.uk/fac/sci/eng/people/james_kermode/talks/
2012 · Nov 2012 Invited talk at ADGLASS workshop Atomistic modelling for Industrial Product Development, Bremen. · Sept 2012 Invited talk at CECAM workshop on ...
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70
IgnacioFranco - School of Arts & Sciences
https://sas.rochester.edu/chm/groups/franco/wp-content/uploads/2021/10/Franco_CV_website_Oct14.pdf
“MOLpull: A tool for molecular free energy reconstruction along a ... CECAM-Psi-k Workshop on “Charge carrier dynamics in nanostructures:.
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https://sas.rochester.edu/chm/groups/franco/wp-content/uploads/2021/10/Franco_CV_website_Oct14.pdf
“MOLpull: A tool for molecular free energy reconstruction along a ... CECAM-Psi-k Workshop on “Charge carrier dynamics in nanostructures:.
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71
Giacomo Fiorin CV
https://giacomofiorin.github.io/Giacomo_Fiorin_CV.pdf
Free-energy computation and enhanced sampling methods. ... CECAM workshop “Ions, membrane and channels: Multiscale simulations ... 8/21/2012.
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https://giacomofiorin.github.io/Giacomo_Fiorin_CV.pdf
Free-energy computation and enhanced sampling methods. ... CECAM workshop “Ions, membrane and channels: Multiscale simulations ... 8/21/2012.
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72
Curriculum Vitae Ramon Ravelo - UTEP Faculty Profiles
https://hb2504.utep.edu/vitas/rravelo.pdf
2012. Visiting Staff Member, Computational Physics Division, ... “Free Energy Calculations of Cu-Sn Interfaces”, R. Ravelo and M.I. Baskes, ...
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https://hb2504.utep.edu/vitas/rravelo.pdf
2012. Visiting Staff Member, Computational Physics Division, ... “Free Energy Calculations of Cu-Sn Interfaces”, R. Ravelo and M.I. Baskes, ...
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73
cecam - EasyBuild
https://easybuild.io/eum22/003_eum22_site_presentation_cecam.pdf
19th International Workshop on Computational Physics and. Materials Science: Total Energy and Force Methodi ... Joly Sky Free emerging interest nferences.
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https://easybuild.io/eum22/003_eum22_site_presentation_cecam.pdf
19th International Workshop on Computational Physics and. Materials Science: Total Energy and Force Methodi ... Joly Sky Free emerging interest nferences.
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74
Downloads » Luca monticelli - DSIMB
https://www.dsimb.inserm.fr/~luca/downloads/
Theory Comput. (2012), 8, 1370−1378 (DOI: 10.1021/ct3000102). ... Free Energy of WALP23 Dimer Association in DMPC, DPPC, and DOPC bilayers
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https://www.dsimb.inserm.fr/~luca/downloads/
Theory Comput. (2012), 8, 1370−1378 (DOI: 10.1021/ct3000102). ... Free Energy of WALP23 Dimer Association in DMPC, DPPC, and DOPC bilayers
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75
Research - Professor Nick Quirke - Imperial College London
https://www.imperial.ac.uk/people/n.quirke/research.html
... Athens, Greece, 2018; Nanobio interactions', CECAM workshop on "Bio-, ... Ulam computer simulation workshop, UCSW, Lviv, June, 201; Free energy of ...
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https://www.imperial.ac.uk/people/n.quirke/research.html
... Athens, Greece, 2018; Nanobio interactions', CECAM workshop on "Bio-, ... Ulam computer simulation workshop, UCSW, Lviv, June, 201; Free energy of ...
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76
RENATA M. M. WENTZCOVITCH Professor of Applied Physics ...
https://engineering.columbia.edu/files/seas/content/faculty-cv/wentzcovitch-renata_cv-102019.pdf
Leite (Physics, Nuclear Energy Research Institute, University of São Paulo) ... insights from first principles studies, Proceedings of CECAM Workshop on ...
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https://engineering.columbia.edu/files/seas/content/faculty-cv/wentzcovitch-renata_cv-102019.pdf
Leite (Physics, Nuclear Energy Research Institute, University of São Paulo) ... insights from first principles studies, Proceedings of CECAM Workshop on ...
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77
Curriculum Vitae of Giovanni Bussi - Trieste - SISSA
https://www.sissa.it/system/files/bandi/Bussi%20CV.pdf
Andrea Pérez Villa, PhD student, SISSA (2012-2015). ... Organizer and tutor for the CECAM tutorial "Free-energy calculations with.
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https://www.sissa.it/system/files/bandi/Bussi%20CV.pdf
Andrea Pérez Villa, PhD student, SISSA (2012-2015). ... Organizer and tutor for the CECAM tutorial "Free-energy calculations with.
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78
Full publication list - François-Xavier Coudert
https://www.coudert.name/publist.pdf
“Free energy landscapes for the thermodynamic understanding of ... dipole, IR and more”, CECAM workshop on New developments for.
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https://www.coudert.name/publist.pdf
“Free energy landscapes for the thermodynamic understanding of ... dipole, IR and more”, CECAM workshop on New developments for.
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79
Publications
https://www.compmolbiophysbc.org/publications
Pal, and Emilio Gallicchio. Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method. J. Chem. Inf.
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https://www.compmolbiophysbc.org/publications
Pal, and Emilio Gallicchio. Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method. J. Chem. Inf.
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80
The CECAM electronic structure library and the modular ...
https://aip.scitation.org/doi/abs/10.1063/5.0012901
The same project has partly funded the extended software development workshops in which most of the ESL coding effort has happened. A.G., S.M., and E.A. ...
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https://aip.scitation.org/doi/abs/10.1063/5.0012901
The same project has partly funded the extended software development workshops in which most of the ESL coding effort has happened. A.G., S.M., and E.A. ...
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81
Allostery in Its Many Disguises: From Theory to Applications
https://www.sciencedirect.com/science/article/pii/S0969212619300036
Such events may involve high free-energy barriers and long transition ... for support of the CECAM workshop on Computational Approaches to ...
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https://www.sciencedirect.com/science/article/pii/S0969212619300036
Such events may involve high free-energy barriers and long transition ... for support of the CECAM workshop on Computational Approaches to ...
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82
Chiara Cappelli - EMBEDLAB@SNS
https://embedlab.sns.it/index.php/people/chiara-cappelli/
2014 CECAM Workshop Binding free energy and kinetics: computation meets experiment, Italy. 2013 Avogadro Colloquia-Second Edition, Italy. 2012 CECAM ...
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https://embedlab.sns.it/index.php/people/chiara-cappelli/
2014 CECAM Workshop Binding free energy and kinetics: computation meets experiment, Italy. 2013 Avogadro Colloquia-Second Edition, Italy. 2012 CECAM ...
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83
Publications - Miao Lab
http://miaolab.org/publications.html
Invited Talk,Vertex Workshop on Free Energy Methods in Drug Design: Targeting Cancer” ... Miao, Y., L. Hong, Z. Yi and J. C. Smith (2012), ...
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http://miaolab.org/publications.html
Invited Talk,Vertex Workshop on Free Energy Methods in Drug Design: Targeting Cancer” ... Miao, Y., L. Hong, Z. Yi and J. C. Smith (2012), ...
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84
Dr. Giuseppe D'Adamo - INFN Roma
https://www.roma1.infn.it/~ciccotti/index.php/group-members/gdadamo.html
1-Crystalline free energies of micelles of diblock copolymer solutions ... has been selected by the Virtual Journal of Biological Physics-June 15-2012)
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https://www.roma1.infn.it/~ciccotti/index.php/group-members/gdadamo.html
1-Crystalline free energies of micelles of diblock copolymer solutions ... has been selected by the Virtual Journal of Biological Physics-June 15-2012)
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85
Oral Presentations - the Gohlke Group
https://cpclab.uni-duesseldorf.de/index.php/Oral-Presentations
CECAM Workshop Multiscale Modeling from Macromolecules to Cell: Opportunities and ... Free energy profile and the dimer-to-monomer equilibrium of the ...
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https://cpclab.uni-duesseldorf.de/index.php/Oral-Presentations
CECAM Workshop Multiscale Modeling from Macromolecules to Cell: Opportunities and ... Free energy profile and the dimer-to-monomer equilibrium of the ...
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86
GAURAV ARYA - University of California San Diego
http://nanoweb.ucsd.edu/~arya/GauravAryaCV.pdf
Center for Physics Workshop on Evolutionary Dynamics and Information Hierarchies, ... D. Meluzzi, A. Maitra, and G. Arya, “Extraction of free energies from ...
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http://nanoweb.ucsd.edu/~arya/GauravAryaCV.pdf
Center for Physics Workshop on Evolutionary Dynamics and Information Hierarchies, ... D. Meluzzi, A. Maitra, and G. Arya, “Extraction of free energies from ...
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87
M Scott Shell - WordPress.com
https://shellresearchgroup.files.wordpress.com/2019/04/msshell-cv.pdf
Outstanding Faculty Award, UCSB Housing & Residential Services, 2012 ... replica-exchange approach to computing peptide conformational free energies,” Mol.
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https://shellresearchgroup.files.wordpress.com/2019/04/msshell-cv.pdf
Outstanding Faculty Award, UCSB Housing & Residential Services, 2012 ... replica-exchange approach to computing peptide conformational free energies,” Mol.
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88
Zhou cv8_2018 - UIC Chemistry - University of Illinois Chicago
https://chem.uic.edu/wp-content/uploads/sites/146/2017/09/Zhou_cv.pdf
2009 & 2011, Organizer, Telluride Workshop on Macromolecular Crowding ... Reduced curvature of ligand-binding domain free energy surface.
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https://chem.uic.edu/wp-content/uploads/sites/146/2017/09/Zhou_cv.pdf
2009 & 2011, Organizer, Telluride Workshop on Macromolecular Crowding ... Reduced curvature of ligand-binding domain free energy surface.
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89
DAVE THIRUMALAI Collie-Welch Reagents Professor in ...
https://sites.cns.utexas.edu/sites/default/files/thirumalai/files/cv_thirumalai.pdf?m=1580838799
Chair 2012 Gordon Research Conference “Protein folding and Dynamics” January ... "Structures and Free-Energy Landscapes of the Wild Type and Mutants of the ...
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https://sites.cns.utexas.edu/sites/default/files/thirumalai/files/cv_thirumalai.pdf?m=1580838799
Chair 2012 Gordon Research Conference “Protein folding and Dynamics” January ... "Structures and Free-Energy Landscapes of the Wild Type and Mutants of the ...
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90
Valerie Daggett - UW Departments Web Server
https://depts.washington.edu/daglab/downloads/Daggett_cv.pdf
CECAM Workshop: Challenges across Large-Scale Biomolecular and Polymer ... V. Daggett, P.A. Kollman and I.D. Kuntz, Free Energy Perturbation ...
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https://depts.washington.edu/daglab/downloads/Daggett_cv.pdf
CECAM Workshop: Challenges across Large-Scale Biomolecular and Polymer ... V. Daggett, P.A. Kollman and I.D. Kuntz, Free Energy Perturbation ...
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91
Marina Guenza
https://cpb-us-e1.wpmucdn.com/blogs.uoregon.edu/dist/9/13250/files/2017/03/Marina_Guenza-rvfe4u.pdf
2012-present Professor – Department of Chemistry – University of Oregon ... which preserves the free energy, structural correlations, and thermodynamic ...
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https://cpb-us-e1.wpmucdn.com/blogs.uoregon.edu/dist/9/13250/files/2017/03/Marina_Guenza-rvfe4u.pdf
2012-present Professor – Department of Chemistry – University of Oregon ... which preserves the free energy, structural correlations, and thermodynamic ...
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92
Gavin E. Crooks - Curriculum vitae - 2022
https://threeplusone.com/pubs/GECrooks_CV.pdf
David A. Sivak and Gavin E. Crooks. Near-equilibrium measurements of nonequilibrium free energy. Phys. Rev. Lett., 108(15):150601 (2012b).
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https://threeplusone.com/pubs/GECrooks_CV.pdf
David A. Sivak and Gavin E. Crooks. Near-equilibrium measurements of nonequilibrium free energy. Phys. Rev. Lett., 108(15):150601 (2012b).
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93
YINGLONG MIAO - Computational Biology - Experts at KU
https://ku.discovery.academicanalytics.com/scholar/202324/YINGLONG-MIAO
Gaussian Accelerated Molecular Dynamics: Free Energy Calculations of Biomolecular Interactions ; Venue: Santa Fe Workshop “Free energy calculations: Entering the ...
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https://ku.discovery.academicanalytics.com/scholar/202324/YINGLONG-MIAO
Gaussian Accelerated Molecular Dynamics: Free Energy Calculations of Biomolecular Interactions ; Venue: Santa Fe Workshop “Free energy calculations: Entering the ...
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94
Lee-Ping Wang Curriculum Vitae
http://www.lpwchem.com/s/CV-20170921.pdf
Thesis: Theoretical investigation of solar energy capture and water oxidation catalysis. B.A. in Physics, UC Berkeley. May 2006. Research Advisor: Prof.
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http://www.lpwchem.com/s/CV-20170921.pdf
Thesis: Theoretical investigation of solar energy capture and water oxidation catalysis. B.A. in Physics, UC Berkeley. May 2006. Research Advisor: Prof.
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