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Constructing Protein Models for Ligand-Receptor Binding Thermodynamic Simulations: An Application to a Set of Peptidometic Renin Inhibitors.
J. S. Tokarski
Anton J. Hopfinger
Published in:
J. Chem. Inf. Comput. Sci. (1997)
Keyphrases
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small number
experimental data
probabilistic model
probability distribution
computational models
drug discovery
hiv protease
complex systems
biological systems
mass spectra
virtual screening
agent based simulations