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SMD-Based Interaction-Energy Fingerprints Can Predict Accurately the Dissociation Rate Constants of HIV-1 Protease Inhibitors.
Shuheng Huang
Duo Zhang
Hu Mei
Muliadiyeremia Kevin
Sujun Qu
Xianchao Pan
Laichun Lu
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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hiv protease
coarse grained
human immunodeficiency virus
fine grained
protein protein interactions
drug resistance
linear support vector machines
energy consumption
sequence analysis
machine learning
feature selection
statistical analysis
structural properties