Caricamento...

Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation Calculations

The in-silico Site Identification by Ligand Competitive Saturation (SILCS) approach identifies the binding sites of representative chemical entities on the entire protein surface, information that can be applied for computational fragment-based drug design. In this study, we report an efficient comp...

Descrizione completa

Salvato in:
Dettagli Bibliografici
Autori principali: Raman, E. Prabhu, Vanommeslaeghe, Kenno, MacKerell, Alexander D.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2012
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3490637/
https://ncbi.nlm.nih.gov/pubmed/23144598
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300088r
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !