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Computational protein-ligand docking and virtual drug screening with the AutoDock suite

Computational docking can be used to predict bound conformations and free energies of binding for small molecule ligands to macromolecular targets. Docking is widely used for the study of biomolecular interactions and mechanisms, and is applied to structure-based drug design. The methods are fast en...

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Dettagli Bibliografici
Pubblicato in:Nat Protoc
Autori principali: Forli, Stefano, Huey, Ruth, Pique, Michael E., Sanner, Michel, Goodsell, David S., Olson, Arthur J.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2016
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4868550/
https://ncbi.nlm.nih.gov/pubmed/27077332
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nprot.2016.051
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