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How Osmolytes Regulate Protein-Ligand Interactions: The Case of α‑Chymotrypsin and Proflavine.

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第一作者： Julio C,Vieyto-Nuñez

第一单位： Chair of Computational Bioengineering, Department of Biochemical and Chemical Engineering, TU Dortmund, 44227 Dortmund, Germany.

作者： Julio C,Vieyto-Nuñez ^[1] ; Marco,Campanile ^[2] ; Joel,Mieres-Perez ^[1] ; Lena,Ostermeier ^[3] ; Caitlyn,Agar ^[3] ; Luigi,Petraccone ^[2] ; Pompea,Del Vecchio ^[2] ; Rosario,Oliva ^[2] ; Roland,Winter ^[3] ; Elsa,Sanchez-Garcia ^[1]

作者单位： Chair of Computational Bioengineering, Department of Biochemical and Chemical Engineering, TU Dortmund, 44227 Dortmund, Germany. ^[1] Department of Chemical Sciences, University of Naples Federico II, Via Cintia 4, 80126 Naples, Italy. ^[2] Physical Chemistry I - Biophysical Chemistry, Department of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn Street 4a, 44227 Dortmund, Germany. ^[3]

关键词 ligand residence times ligand-protein binding molecular dynamics simulations osmolytes proflavine α-chymotrypsin

DOI 10.1021/jacsau.5c00629

PMID 40747043

发布时间 2025-09-26

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2025年5卷7期

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How Osmolytes Regulate Protein-Ligand Interactions: The Case of α‑Chymotrypsin and Proflavine.

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How Osmolytes Regulate Protein-Ligand Interactions: The Case of α‑Chymotrypsin and Proflavine.

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