Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities

A key challenge in structure-based discovery is accounting for modulation of protein-ligand interactions by ordered and bulk solvent. To investigate this, we compared ligand binding to a buried cavity in Cytochrome c Peroxidase (CcP), where affinity is dominated by a single ionic interaction, versus...

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Detalles Bibliográficos
Autores principales: Barelier, Sarah, Boyce, Sarah E., Fish, Inbar, Fischer, Marcus, Goodin, David B., Shoichet, Brian K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3715451/
https://www.ncbi.nlm.nih.gov/pubmed/23874896
http://dx.doi.org/10.1371/journal.pone.0069153

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3715451/
https://www.ncbi.nlm.nih.gov/pubmed/23874896
http://dx.doi.org/10.1371/journal.pone.0069153

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