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DINC: A new AutoDock-based protocol for docking large ligands

BACKGROUND: Using the popular program AutoDock, computer-aided docking of small ligands with 6 or fewer rotatable bonds, is reasonably fast and accurate. However, docking large ligands using AutoDock's recommended standard docking protocol is less accurate and computationally slow. RESULTS: In...

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Detalhes bibliográficos
Main Authors: Dhanik, Ankur, McMurray, John S, Kavraki, Lydia E
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3952135/
https://ncbi.nlm.nih.gov/pubmed/24564952
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1472-6807-13-S1-S11
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