Proximal charge effects on guest binding to a non-polar pocket

Science still does not have the ability to accurately predict the affinity that ligands have for proteins. In an attempt to address this, the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) series of blind predictive challenges is a community-wide exercise aimed at advancing compu...

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Detalles Bibliográficos
Autores principales: Suating, Paolo, Nguyen, Thong T., Ernst, Nicholas E., Wang, Yang, Jordan, Jacobs H., Gibb, Corinne L. D., Ashbaugh, Henry S., Gibb, Bruce C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7424593/
https://www.ncbi.nlm.nih.gov/pubmed/32864079
http://dx.doi.org/10.1039/c9sc06268h

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7424593/
https://www.ncbi.nlm.nih.gov/pubmed/32864079
http://dx.doi.org/10.1039/c9sc06268h

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