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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 20

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Integrated docking and enhanced sampling-based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors

Amit Kumawata Prescience Insilico Private Limited, Bangalore, India;b Department of Chemical Engineering, Indian Institute of Technology, Kanpur, India

https://orcid.org/0000-0001-6802-7398

Sadanandam Namsania Prescience Insilico Private Limited, Bangalore, India

Debabrata Pramanikb Department of Chemical Engineering, Indian Institute of Technology, Kanpur, India

Sudip Roya Prescience Insilico Private Limited, Bangalore, IndiaCorrespondence[email protected] [email protected]

Jayant K. Singha Prescience Insilico Private Limited, Bangalore, India;b Department of Chemical Engineering, Indian Institute of Technology, Kanpur, IndiaCorrespondence[email protected] [email protected]

Pages 9897-9908 | Received 18 Dec 2020, Accepted 24 May 2021, Published online: 22 Jun 2021

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https://doi.org/10.1080/07391102.2021.1937319
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