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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 18
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Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation study

Soumita Mukherjeea Department of Chemistry, National Institute of Technology-Durgapur, Durgapur, West Bengal, India
,
Subrata Dasguptaa Department of Chemistry, National Institute of Technology-Durgapur, Durgapur, West Bengal, India
,
Tapasendra Adhikaryb Department of Metallurgical & Materials Engineering, Indian Institute of Technology, Kharagpur, West Bengal, India
,
Utpal Adhikaria Department of Chemistry, National Institute of Technology-Durgapur, Durgapur, West Bengal, India
&
Sujit Sankar Panjaa Department of Chemistry, National Institute of Technology-Durgapur, Durgapur, West Bengal, IndiaCorrespondence[email protected]
Pages 7322-7334 | Received 29 May 2020, Accepted 28 Jul 2020, Published online: 10 Aug 2020

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Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation study
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