EDock: blind protein–ligand docking by replica-exchange monte carlo simulation

Protein–ligand docking is an important approach for virtual screening and protein function annotation. Although many docking methods have been developed, most require a high-resolution crystal structure of the receptor and a user-specified binding site to start. This information is, however, not ava...

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Detalles Bibliográficos
Autores principales: Zhang, Wenyi, Bell, Eric W., Yin, Minghao, Zhang, Yang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7251717/
https://www.ncbi.nlm.nih.gov/pubmed/33430966
http://dx.doi.org/10.1186/s13321-020-00440-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7251717/
https://www.ncbi.nlm.nih.gov/pubmed/33430966
http://dx.doi.org/10.1186/s13321-020-00440-9

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