Exploring the structural origins of cryptic sites on proteins

Molecular dynamics (MD) simulations of proteins reveal the existence of many transient surface pockets; however, the factors determining what small subset of these represent druggable or functionally relevant ligand binding sites, called “cryptic sites,” are not understood. Here, we examine multiple...

Descrición completa

Gardado en:
Detalles Bibliográficos
Publicado en:Proc Natl Acad Sci U S A
Main Authors: Beglov, Dmitri, Hall, David R., Wakefield, Amanda E., Luo, Lingqi, Allen, Karen N., Kozakov, Dima, Whitty, Adrian, Vajda, Sandor
Formato: Artigo
Idioma:Inglês
Publicado: National Academy of Sciences 2018
Assuntos:
PNAS Plus
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC5899430/
https://ncbi.nlm.nih.gov/pubmed/29581267
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1711490115
Tags: Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!

Títulos similares