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Prediction of Ligand-Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis: 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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free energy
drug design
force field
drug discovery
image analysis
computer vision
belief propagation
active contour model
pairwise
probability distribution
upper bound
graph cuts