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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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| Pubblicato in: | Nat Protoc |
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| Autori principali: | , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2016
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| 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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