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Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction
Drug discovery is usually focused on a single protein target; in this process, existing compounds that bind to related proteins are often ignored. We describe ProBiS plugin, extension of our earlier ProBiS-ligands approach, which for a given protein structure allows prediction of its binding sites a...
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| Publicat a: | J Med Chem |
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| Autors principals: | , , , , , , , , , , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2016
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5588031/ https://ncbi.nlm.nih.gov/pubmed/27936766 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jmedchem.6b01277 |
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