Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins

BACKGROUND: Docking large ligands, and especially peptides, to protein receptors is still considered a challenge in computational structural biology. Besides the issue of accurately scoring the binding modes of a protein-ligand complex produced by a molecular docking tool, the conformational samplin...

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Detalles Bibliográficos
Autores principales: Devaurs, Didier, Antunes, Dinler A, Hall-Swan, Sarah, Mitchell, Nicole, Moll, Mark, Lizée, Gregory, Kavraki, Lydia E
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6729087/
https://www.ncbi.nlm.nih.gov/pubmed/31488048
http://dx.doi.org/10.1186/s12860-019-0218-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6729087/
https://www.ncbi.nlm.nih.gov/pubmed/31488048
http://dx.doi.org/10.1186/s12860-019-0218-z

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