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Computer-aided drug design: A free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductase.
Peter L. Cummins
Jill E. Gready
Published in:
J. Comput. Aided Mol. Des. (1993)
Keyphrases
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computer aided
free energy
drug design
statistical analysis
image analysis
probabilistic model
belief propagation