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Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors.
Hui Sun Lee
Sunhwan Jo
Hyun-Suk Lim
Wonpil Im
Published in:
J. Chem. Inf. Model. (2012)
Keyphrases
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free energy
hiv protease
human immunodeficiency virus
neural network
belief propagation
image sequences
pairwise
fixed point
energy minimization
protein protein interactions