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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

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Bibliographic Details
Published in:Journal of biomolecular structure & dynamics 2020-09, Vol.38 (14), p.4325-4335
Main Authors: Chinnasamy, Sathishkumar, Selvaraj, Gurudeeban, Kaushik, Aman Chandra, Kaliamurthi, Satyavani, Chandrabose, Selvaraj, Singh, Sanjeev Kumar, Thirugnanasambandam, Ramanathan, Gu, Keren, Wei, Dong-Qing
Format: Article
Language:English
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ISSN:0739-1102
1538-0254
DOI:10.1080/07391102.2019.1674695