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]

Authors

Doris A. Schuetz

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Mattia Bernetti

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Martina Bertazzo

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Djordje Musil

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Hans-Michael Eggenweiler

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Maurizio Recanatini

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Matteo Masetti

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Gerhard F. Ecker

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Andrea Cavalli

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