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Fast and accurate determination of the relative binding affinities of small compounds to HIV-1 protease using non-equilibrium work.
Son Tung Ngo
Huynh Minh Hung
Minh Tho Nguyen
Published in:
J. Comput. Chem. (2016)
Keyphrases
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hiv protease
coarse grained
hiv pr
fine grained
pairwise
protein protein interactions
high accuracy
sequence analysis
linear support vector machines
high precision
genetic algorithm
training set
parallel algorithm
statistical methods