A Multiscale Simulation Approach to Modeling Drug-Protein Binding Kinetics

Haldar, S; Comitani, F; Saladino, G; Woods, C; van der Kamp, MW; Mulholland, AJ; Gervasio, FL; (2018) A Multiscale Simulation Approach to Modeling Drug-Protein Binding Kinetics. Journal of Chemical Theory and Computation 10.1021/acs.jctc.8b00687 . (In press).

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