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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2013
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| Materias: | |
| 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 |