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A Drug Repurposing Approach to Identify Therapeutics by Screening Pathogen Box Exploiting SARS-CoV-2 Main Protease
Authors:Rashmi Tyagi  Anubrat Paul  V. Samuel Raj  Krishna Kumar Ojha  Sunil Kumar  Aditya K Panda  Anurag Chaurasia  Manoj Kumar Yadav
Affiliation:1. Center for Drug Design Discovery and Development (C4D), SRM University, Delhi-NCR, Sonepat, 131 029 Haryana, India;2. Department of Bioinformatics, Central University of South Bihar, Gaya, 824 236 Bihar, India;3. ICAR-Indian Agriculture Statistical Research Institute, New Delhi, India, 110012;4. Department of Biosciences and Bioinformatics, Khallikote University, Berhampur, 761008 Odisha, India;5. ICAR-Indian Institute of Vegetable Research, Varanasi, 221305, UP India
Abstract:
Keywords:COVID-19  virtual screening  molecular docking  ADMET  molecular dynamics simulations
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