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Binding to a Series of Biologically Relecant Ligands: A Molecular Mechanics Investigation Grounded on Ab Initio Self-Consistent Field Supermolecular Computations.
Nohad Gresh
Published in:
J. Comput. Chem. (1995)
Keyphrases
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drug design
protein structure prediction
virtual screening
three dimensional
information systems
molecular dynamics
neural network
genetic algorithm
learning algorithm
bayesian networks
fine grained
hiv protease
van der waals