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Improved convergence of binding affinities with free energy perturbation: Application to nonpeptide ligands with pp60src SH2 domain.
Daniel J. Price
William L. Jorgensen
Published in:
J. Comput. Aided Mol. Des. (2001)
Keyphrases
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free energy
machine learning
upper bound
least squares
neural network
image segmentation
three dimensional
competitive learning