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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Barelier, Sarah, Boyce, Sarah E., Fish, Inbar, Fischer, Marcus, Goodin, David B., Shoichet, Brian K.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Public Library of Science 2013
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC3715451/
https://ncbi.nlm.nih.gov/pubmed/23874896
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0069153
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