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Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential.
Dian Jiao
Jiajing Zhang
Robert E. Duke
Guohui Li
Michael J. Schnieders
Pengyu Y. Ren
Published in:
J. Comput. Chem. (2009)
Keyphrases
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computer vision
markov random field
explicit feedback
information systems
multi agent systems
numerical simulations
energy minimization
simulation environment