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Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches.
Hemant Kumar Srivastava
G. Narahari Sastry
Published in:
J. Chem. Inf. Model. (2012)
Keyphrases
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molecular dynamics
hiv protease
human immunodeficiency virus
coarse grained
machine learning
data streams
load balancing
high performance computing
drug resistance