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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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Bibliografske podrobnosti
izdano v:Biophys J
Main Authors: Kahler, Ursula, Kamenik, Anna S., Waibl, Franz, Kraml, Johannes, Liedl, Klaus R.
Format: Artigo
Jezik:Inglês
Izdano: The Biophysical Society 2020
Teme:
Online dostop: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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