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Covalent docking using autodock: Two‐point attractor and flexible side chain methods
We describe two methods of automated covalent docking using Autodock4: the two‐point attractor method and the flexible side chain method. Both methods were applied to a training set of 20 diverse protein–ligand covalent complexes, evaluating their reliability in predicting the crystallographic pose...
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| Pubblicato in: | Protein Sci |
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| Autori principali: | , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
John Wiley and Sons Inc.
2015
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4815316/ https://ncbi.nlm.nih.gov/pubmed/26103917 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.2733 |
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