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Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge.
Cheng Peng
Jinan Wang
Zhijian Xu
Tingting Cai
Weiliang Zhu
Published in:
J. Comput. Chem. (2020)
Keyphrases
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hiv protease
coarse grained
hiv pr
fine grained
human immunodeficiency virus
protein protein interactions
sequence analysis
linear support vector machines
drug resistance
high accuracy
quantum mechanics
encoding schemes
pairwise
high level
data structure
high precision