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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| Main Authors: | Konstantin L. Obydennov, Tatiana A. Kalinina, Tatiana V. Glukhareva, Vasiliy A. Bakulev |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Ural Federal University
2024-01-01
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| Series: | Chimica Techno Acta |
| Subjects: | |
| Online Access: | https://chimicatechnoacta.ru/article/view/7269 |
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