Article

Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 Main Protease complexes reveal the role of a lateral pocket in enhancing the ligand affinity

2020-11-01

Abstract excerpt

The 2019 novel coronavirus pandemic caused by SARS-CoV-2 remains a serious health threat to humans and a number of countries are already in the middle of the second wave of infection. There is an urgent need to develop therapeutics against this deadly virus. Recent scientific evidences have suggested that the main protease (M pro ) enzyme in SARS-CoV-2 can be an ideal drug target due to its crucial role in the vi...

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Literature Corpus work: 128a9f55-5e45-5a0f-9b42-9dfcb734cc39
DOI: 10.1101/2020.10.31.363309

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Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 Main Protease complexes reveal the role of a lateral pocket in enhancing the ligand affinityDOI 10.1101/2020.10.31.363309Read

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