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Application of Free Energy Perturbation for the Design of BACE1 Inhibitors.
Myriam Ciordia
Laura Pérez-Benito
Francisca Delgado
Andrés A. Trabanco
Gary Tresadern
Published in:
J. Chem. Inf. Model. (2016)
Keyphrases
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free energy
neural network
hidden markov models
sufficient conditions