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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

Abstract Background The porcine epidemic diarrhea virus (PEDV) represents a major health issue for piglets worldwide and does significant damage to the pork industry. Thus, new therapeutic approaches are urgently needed to manage PEDV infections. Due to the current lack of a reliable remedy, this pr...

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Detalhes bibliográficos
Principais autores: Rajesh Kumar Pathak, Won-Il Kim, Jun-Mo Kim
Formato: Artigo
Idioma:Inglês
Publicado em: BMC 2023-04-01
coleção:Journal of Biological Engineering
Assuntos:
Acesso em linha:https://doi.org/10.1186/s13036-023-00342-y
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