Cosolvent Analysis Toolkit (CAT): a robust hotspot identification platform for cosolvent simulations of proteins to expand the druggable proteome

Cosolvent Molecular Dynamics (MD) simulations are increasingly popular techniques developed for prediction and characterization of allosteric and cryptic binding sites, which can be rendered “druggable” by small molecule ligands. Despite their conceptual simplicity and effectiveness, the analysis of...

Descripción completa

Detalles Bibliográficos
Autores principales: Sabanés Zariquiey, Francesc, de Souza, João V., Bronowska, Agnieszka K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6910964/
https://www.ncbi.nlm.nih.gov/pubmed/31836830
http://dx.doi.org/10.1038/s41598-019-55394-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6910964/
https://www.ncbi.nlm.nih.gov/pubmed/31836830
http://dx.doi.org/10.1038/s41598-019-55394-2

Ejemplares similares