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Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria
Kim MO,
Blachly PG,
McCammon JA
(2015)
Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria.
PLOS Computational Biology 11(10): e1004341.
https://doi.org/10.1371/journal.pcbi.1004341