Development of A. solani β-tubulin models and comparison of docking results for benzo[d]azoles derivatives as potential antifungal agents
Konstantin L. Obydennov,
Tatiana A. Kalinina,
Tatiana V. Glukhareva
et al.
Abstract:An approach to developing a docking protocol using free software such as KNIME, DataWarrior, AutoDock Vina, AutoDockTools, OpenBabel and the SWISS-MODEL service was described. In particular, the process of generating possible isomeric structures using KNIME chemoinformatics libraries is described. A library of benzo[d]azoles containing 145 compounds with homologous models of Alternaria solani β-tubulin obtained in two ways: using the commercial Prime program and the free SWISS-MODEL service, the comparison of … Show more
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