Michael K Gilson

Michael K Gilson

University of California San Diego
Verified email at health.ucsd.edu
Cited by 38538
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 …
Verified email at umn.edu
Cited by 31107
Statistical mechanics molecular simulation Monte Carlo algorithms force fields applications to phase & sorption equilibria
koushik kasavajhala

koushik kasavajhala

Senior Scientist II, Schrödinger
Verified email at schrodinger.com
Cited by 17549
Enhanced Sampling Methods Force Fields Solvent Models Protein Folding AI/ML in Drug Discovery
Hendrik Heinz

Hendrik Heinz

University of Colorado Boulder
Verified email at colorado.edu
Cited by 13120
Force Fields Biophysics Polymer Materials AI & Multiscale Simulation Mineralogy & Catalysis
Wolfgang Damm

Wolfgang Damm

Verified email at schrodinger.com
Cited by 12938
Force Fields FEP MD MC organic chemistry
Pengfei Li

Pengfei Li

Assistant Professor, Loyola University Chicago
Verified email at luc.edu
Cited by 10710
Force Fields AMBER Metalloprotein Metalloenzyme Proton-Coupled Electron Transfer
Alessandra Villa

Alessandra Villa

KTH - Royal Institute of Technology
Verified email at kth.se
Cited by 7233
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
Verified email at qmul.ac.uk
Cited by 6016
intermolecular interactions perturbation theory nucleation force fields dispersion interactions
Karl N Kirschner

Karl N Kirschner

Bonn-Rhein-Sieg University of Applied Sciences
Verified email at h-brs.de
Cited by 5223
drug design water clusters force fields parameterization modeling
Dr. Detlef Walter Maria Hofmann

Dr. Detlef Walter Maria Hofmann

Cited by 4532
Force Fields Crystal Structure Prediction Data Mining
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