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Studies on the antibacterial activities and molecular mechanism of GyrB inhibitors by 3D-QSAR,molecular docking and molecular dynamics simulation
Institution:1. School of Life Science, Linyi University, Linyi 276000, China;2. Warshel Institute for Computational Biology, School of Science and Engineering, The Chinese University of Hong Kong, Shenzhen 518172, China;3. School of Biotechnology, University of Science and Technology of China, Hefei 230026, China;4. Biomedicine Discovery Institute, Monash University, Melbourne 3800. VIC, Australia;5. State Key Laboratory of Functions and Applications of Medicinal Plants, College of Basic Medical, Guizhou Medical University, Guizhou 550004, China
Abstract:
Keywords:GyrB  CoMFA  CoMSIA  Molecular docking  Molecular dynamics
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