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Computational analysis of the cathepsin B inhibitors activities through LR-MMPBSA binding affinity calculation based on docked complex.
Zhigang Zhou
Yanli Wang
Stephen H. Bryant
Published in:
J. Comput. Chem. (2009)
Keyphrases
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neural network
complex systems
data sets
machine learning
data analysis
statistical analysis
quantitative analysis
real world
multiscale
pairwise