Work

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

Year: 2022

Type: article

Source: Computers in Biology and Medicine

DOI: 10.1016/j.compbiomed.2022.106125

Authors: Manish Manish, Smriti Mishra, Ayush Anand, Naidu Subbarao

Institutions: Jawaharlal Nehru University, B.P. Koirala Institute of Health Sciences

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

SDG: Good health and well-being

Open Access status: green

Funders: Indian Council of Medical Research, Council of Scientific and Industrial Research, India

OpenAlex ID: W4297200527

FWCI: 2.636

Cites: 71

Cited by: 39

Related to: 10