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Molecular electrostatic potentials as input for the alignment of HIV-1 integrase inhibitors in 3D QSAR.
Mahindra T. Makhija
Vithal M. Kulkarni
Published in:
J. Comput. Aided Mol. Des. (2001)
Keyphrases
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drug discovery
human immunodeficiency virus
drug design
drug resistance
virtual screening
higher order
systems biology
data mining
early stage
high order
complex systems
input data
data sets
network topology
scientific data
biological systems
potential functions
input parameters
user input
pairwise
hiv protease
three dimensional