Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics

Doris A. Schuetz, Mattia Bernetti, Martina Bertazzo, Djordje Musil, Hans-Michael Eggenweiler, Maurizio Recanatini, Matteo Masetti, Gerhard F. Ecker, Andrea Cavalli. Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics. Journal of Chemical Information and Computer Sciences, 59(1):535-549, 2019. [doi]

Abstract

Abstract is missing.