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
Autors principals: Štular, Tanja, Lešnik, Samo, Rožman, Kaja, Schink, Julia, Zdouc, Mitja, Ghysels, An, Liu, Feng, Aldrich, Courtney C., Haupt, V. Joachim, Salentin, Sebastian, Daminelli, Simone, Schroeder, Michael, Langer, Thierry, Gobec, Stanislav, Janežič, Dušanka, Konc, Janez
Format: Artigo
Idioma:Inglês
Publicat: 2016
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Article
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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