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.

Pathak, Rajesh Kumar; Kim, Won-Il; Kim, Jun-Mo

Pathak, Rajesh Kumar; Kim, Won-Il; Kim, Jun-Mo.

Afiliación

Pathak RK; Department of Animal Science and Technology, Chung-Ang University, Anseong-si, Gyeonggi-do 17546, Republic of Korea.
Kim WI; College of Veterinary Medicine, Jeonbuk National University, Iksan, Jeollabuk-do 54596, Republic of Korea.
Kim JM; Department of Animal Science and Technology, Chung-Ang University, Anseong-si, Gyeonggi-do 17546, Republic of Korea. junmokim@cau.ac.kr.

J Biol Eng ; 17(1): 29, 2023 Apr 18.

Article en En | MEDLINE | ID: mdl-37072787

Palabras clave

MD simulation; PEDV; Pig; Veterinary drug; Virtual screening

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Contexto en salud: 3_ND Problema de salud: 3_diarrhea Tipo de estudio: Diagnostic_studies / Prognostic_studies / Risk_factors_studies / Screening_studies Idioma: En Revista: J Biol Eng Año: 2023 Tipo del documento: Article

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