Computational molecular interaction between SARS-CoV-2 main protease and theaflavin digallate using free energy perturbation and molecular dynamics

Manish Manish, Smriti Mishra, Ayush Anand, Naidu Subbarao. Computational molecular interaction between SARS-CoV-2 main protease and theaflavin digallate using free energy perturbation and molecular dynamics. Comp. in Bio. and Med., 150:106125, 2022. [doi]

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