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Molecular Modeling Approaches for the Prediction of the Nonspecific Binding of Drugs to Hepatic Microsomes.
Matthew J. Sykes
Michael J. Sorich
John O. Miners
Published in:
J. Chem. Inf. Model. (2006)
Keyphrases
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drug design
hiv protease
human immunodeficiency virus
drug discovery
prediction accuracy
drug resistance
coarse grained
three dimensional
protein structure prediction
early stage
prediction algorithm
molecular structure
fine grained
prediction error
prediction model
virtual screening
binding peptides
data sets