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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Detalles Bibliográficos
Autores principales: Kahler, Ursula, Kamenik, Anna S., Waibl, Franz, Kraml, Johannes, Liedl, Klaus R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Biophysical Society 2020
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7399559/
https://www.ncbi.nlm.nih.gov/pubmed/32697976
http://dx.doi.org/10.1016/j.bpj.2020.06.032

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7399559/
https://www.ncbi.nlm.nih.gov/pubmed/32697976
http://dx.doi.org/10.1016/j.bpj.2020.06.032

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