Prebound State Discovered in the Unbinding Pathway of Fluorinated Variants of the Trypsin–BPTI Complex Using Random Acceleration Molecular Dynamics Simulations
Article in Journal of Chemical Information and Modeling (June 2024)
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Article in Journal of Chemical Information and Modeling (June 2024)
Article in Computation (May 2024)
Article in Wiley Interdisciplinary Reviews Computational Molecular Science (March 2024)