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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)

Korea Institute of Planning and Evaluation for Technology in Food, Agriculture and Forestry (IPET122005021WT011)

Korea Institute of Planning and Evaluation for Technology in Food, Agriculture and Forestry (IPET122005021WT011)
License Information

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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