Journal of Biomolecular Structure and Dynamics
Volume 39, 2021 - Issue 10
Research Articles
Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations
Md Fulbabu SkDiscipline of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Indore, MP, India
https://orcid.org/0000-0003-4341-8370View further author information
https://orcid.org/0000-0003-4341-8370View further author information, Rajarshi RoyDiscipline of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Indore, MP, Indiahttps://orcid.org/0000-0002-5788-9424View further author information
https://orcid.org/0000-0002-5788-9424View further author information, , & Parimal KarDiscipline of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Indore, MP, IndiaCorrespondence[email protected]
https://orcid.org/0000-0001-8451-9739View further author information
https://orcid.org/0000-0001-8451-9739View further author information