Michael K Gilson

Michael K Gilson

University of California San Diego
在 health.ucsd.edu 的电子邮件经过验证
被引用次数：37142
drug design statistical thermodynamics host-guest force-fields databases
J. Ilja Siepmann

J. Ilja Siepmann

Depts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U …
在 umn.edu 的电子邮件经过验证
被引用次数：29973
Statistical mechanics molecular simulation Monte Carlo algorithms force fields applications to phase & sorption equilibria
koushik kasavajhala

koushik kasavajhala

Senior Scientist II, Schrödinger
在 schrodinger.com 的电子邮件经过验证
被引用次数：15858
Enhanced Sampling Methods Force Fields Solvent Models Protein Folding AI/ML in Drug Discovery
Hendrik Heinz

Hendrik Heinz

University of Colorado Boulder
在 colorado.edu 的电子邮件经过验证
被引用次数：12194
Force Fields Biophysics Polymer Materials AI & Multiscale Simulation Mineralogy & Catalysis
Wolfgang Damm

Wolfgang Damm

在 schrodinger.com 的电子邮件经过验证
被引用次数：11942
Force Fields FEP MD MC organic chemistry
Pengfei Li

Pengfei Li

Assistant Professor, Loyola University Chicago
在 luc.edu 的电子邮件经过验证
被引用次数：9735
Force Fields AMBER Metalloprotein Metalloenzyme Proton-Coupled Electron Transfer
Alessandra Villa

Alessandra Villa

KTH - Royal Institute of Technology
在 kth.se 的电子邮件经过验证
被引用次数：7014
biomolecular interactions molecular simulations force fields axon modelling targeting nucleic acids
Alston J. Misquitta

Alston J. Misquitta

Senior Lecturer in Condensed Matter Physics, Queen Mary, University of London
在 qmul.ac.uk 的电子邮件经过验证
被引用次数：5801
intermolecular interactions perturbation theory nucleation force fields dispersion interactions
Karl N Kirschner

Karl N Kirschner

Bonn-Rhein-Sieg University of Applied Sciences
在 h-brs.de 的电子邮件经过验证
被引用次数：5031
drug design water clusters force fields parameterization modeling
Dr. Detlef Walter Maria Hofmann

Dr. Detlef Walter Maria Hofmann

被引用次数：4345
Force Fields Crystal Structure Prediction Data Mining
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