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CHARMM: The biomolecular simulation program.

Bernard R. Brooks Charles L. Brooks III Alexander D. MacKerell Jr.Lennart Nilsson Robert J. Petrella Benoît Roux Y. Won G. Archontis Christian Bartels Stefan Boresch Amedeo Caflisch Leo S. D. Caves Qiang Cui Aaron R. Dinner Michael Feig S. Fischer Jiali Gao Milan Hodoscek Wonpil Im Krzysztof Kuczera Themis Lazaridis J. Ma V. Ovchinnikov Emanuele Paci Richard W. Pastor C. B. Post J. Z. Pu Michael Schaefer Bruce Tidor Richard M. Venable H. Lee Woodcock III X. Wu W. Yang Darrin M. York Martin Karplus

Published in: J. Comput. Chem. (2009)

Keyphrases

simulation data
artificial intelligence
high fidelity
simulation models
collision detection
real time
database
objective function
digital libraries
mathematical model
simulation model
program execution