Systematic exploration of multiple drug binding sites

BACKGROUND: Targets with multiple (prerequisite or allosteric) binding sites have an increasing importance in drug design. Experimental determination of atomic resolution structures of ligands weakly bound to multiple binding sites is often challenging. Blind docking has been widely used for fast ma...

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Detalles Bibliográficos
Autores principales: Bálint, Mónika, Jeszenői, Norbert, Horváth, István, van der Spoel, David, Hetényi, Csaba
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Methodology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5745209/
https://www.ncbi.nlm.nih.gov/pubmed/29282592
http://dx.doi.org/10.1186/s13321-017-0255-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5745209/
https://www.ncbi.nlm.nih.gov/pubmed/29282592
http://dx.doi.org/10.1186/s13321-017-0255-6

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