Development of A. solani β-tubulin models and comparison of docking results for benzo[d]azoles derivatives as potential antifungal agents

Development of A. solani β-tubulin models and comparison of docking results for benzo[d]azoles derivatives as potential antifungal agents

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...

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Bibliographic Details
Main Authors: Konstantin L. Obydennov, Tatiana A. Kalinina, Tatiana V. Glukhareva, Vasiliy A. Bakulev
Format: Article
Language:English
Published: Uralʹskij federalʹnyj universitet imeni pervogo Prezidenta Rossii B.N. Elʹcina 2024-01-01
Series:Chimica Techno Acta
Subjects:
docking
benzazoles
tubuline
autodock vina
Online Access:https://chimicatechnoacta.ru/article/view/7269

Internet

https://chimicatechnoacta.ru/article/view/7269

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