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Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations

Crossref DOI link: https://doi.org/10.1186/s13036-023-00342-y

Published Online: 2023-04-18

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Pathak, Rajesh Kumar https://orcid.org/0000-0003-3835-8430
Kim, Won-Il https://orcid.org/0000-0002-0465-0794
Kim, Jun-Mo https://orcid.org/0000-0002-6934-398X
Funding

Funding for this research was provided by:

Korea Institute of Planning and Evaluation for Technology in Food, Agriculture and Forestry (IPET122005021WT011, IPET122005021WT011, IPET122005021WT011)
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Text and Data Mining valid from 2023-04-18

Version of Record valid from 2023-04-18
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Article History

Received: 8 November 2022

Accepted: 13 March 2023

First Online: 18 April 2023

Declarations

:

: Not applicable.

: Not applicable.

: The authors declare that they have no conflict of interest.

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