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Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: assessing the performance of density functional theory,MM-GBSA and mass action kinetics calculations
Authors:Sathishkumar Chinnasamy  Gurudeeban Selvaraj  Aman Chandra Kaushik  Satyavani Kaliamurthi  Selvaraj Chandrabose  Sanjeev Kumar Singh
Institution:1. State Key Laboratory of Microbial Metabolism, School of Life Sciences and Biotechnology, and Joint Laboratory of International Cooperation in Metabolic and Developmental Sciences, Ministry of Education, Shanghai Jiao Tong University, Shanghai, China;2. Center of Interdisciplinary Science-Computational Life Sciences, College of Food Science and Engineering, Henan University of Technology, Zhengzhou, Henan, China;3. Peng Cheng Laboratory, Shenzhen, Guangdong, China;4. College of Chemistry, Chemical Engineering and Environment, Henan University of Technology, Zhengzhou, Henan, China;5. Department of Bioinformatics, School of Biological Sciences, Alagappa University, Karaikkudi, Tamil Nadu, India
Abstract:
Keywords:
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