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Protein-Protein Binding as a Two-Step Mechanism: Preselection of Encounter Poses during the Binding of BPTI and Trypsin

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 and its inhibitor bovine pancreatic...

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Foilsithe in:Biophys J
Main Authors: Kahler, Ursula, Kamenik, Anna S., Waibl, Franz, Kraml, Johannes, Liedl, Klaus R.
Formáid: Artigo
Teanga:Inglês
Foilsithe: The Biophysical Society 2020
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7399559/
https://ncbi.nlm.nih.gov/pubmed/32697976
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2020.06.032
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