Protein-Protein Binding as a Two-Step Mechanism: Preselection of Encounter Poses during the Binding of BPTI and Trypsin
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DOI: 10.1016/j.bpj.2020.06.032
Abstract: Biomolecular recognition between proteins follows complex mechanisms, the understanding of which can substantially advance drug discovery efforts. Here, we track each step of the binding process in atomistic detail with molecular dynamics simulations using trypsin… read more here.
Keywords: protein; step; encounter; process ... See more keywords