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A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers

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作者单位: Laboratory of Molecular Modeling and Drug Design, Department of Biochemistry and Imunology [1] Laboratory of Computational and Quantum Chemistry, Department of Chemistry, Universidade Federal da [2] Laboratory of Molecular Modeling and Bioinformatics, Department of Exact and Biological Sciences [3] Comp. Modeling Coordination, Laboratório Nacional de Computa??o Científica [4] Structural Bioinformatic Laboratory, Institute of Technological Sciences, Universidade Federal de [5] Graduate Program in Natural and Synthetic Bioactive Products; Universidade Federal da Paraíba [6] Computational Biology Laboratory, Center for computational sciences, Universidade Federal do Rio [7]
发布时间 2023-02-24
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Journal of Biomolecular Structure and Dynamics

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