Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CL pro : A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking-论文-万方医学网

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Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CL pro : A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking

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第一作者： Igor Santos Nascimento

作者： Igor Santos Nascimento ^[1] ; Thiago Aquino ^[2] ; Edeildo Silva-Júnior

作者单位： Laboratory of Computational Chemistry and Modeling of Biomolecules, Institute of Chemistry and ^[1] Laboratory of Medicinal Chemistry, Pharmaceutical Sciences Institute, Federal University of Alagoas ^[2]

关键词 SARS-CoV-2 structure-based drug discovery virtual screening molecular modeling drug repurposing molecular dynamics.

发布时间 2022-12-22

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Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CL pro : A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking

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Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CL pro : A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking

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