Investigation of structural analogs of hydroxychloroquine for SARS-CoV-2 main protease (Mpro): A computational drug discovery study S Reyaz, A Tasneem, GP Rai, HR Bairagya Journal of Molecular Graphics and Modelling 109, 108021, 2021 | 11 | 2021 |
Screening of miRNAs as prognostic biomarkers and their associated hub targets across Hepatocellular carcinoma using survival-based bioinformatics approach P Singh, R Solanki, A Tasneem, S Suri, H Kaur, SR Shah, R Dohare Journal of Genetic Engineering and Biotechnology 22 (1), 100337, 2024 | 9 | 2024 |
Integrative multiomics and regulatory network analyses uncovers the role of OAS3, TRAFD1, MiR-222-3p, and MiR-125b-5p in hepatitis E virus infection S Gupta, P Singh, A Tasneem, A Almatroudi, AH Rahmani, R Dohare, ... Genes 14 (1), 42, 2022 | 8 | 2022 |
Structural and dynamical impact of water molecules at substrate-or product-binding sites in human GMPR enzyme: a study by molecular dynamics simulations HR Bairagya, A Tasneem, GP Rai, S Reyaz The Journal of Physical Chemistry B 125 (5), 1351-1362, 2020 | 6 | 2020 |
The possible molecular mechanism of SARS-CoV-2 Main Protease: new structural insights from computational methods A Tasneem, GP Rai, S Reyaz, HR Bairagya SciMedicine Journal 2, 108-126, 2021 | 4 | 2021 |
New biochemical insights into the dynamics of water molecules at the GMP or IMP binding site of human GMPR enzyme: A molecular dynamics study HR Bairagya, A Tasneem, GP Rai, S Reyaz Proteins: Structure, Function, and Bioinformatics 90 (1), 200-217, 2022 | 3 | 2022 |
Structural and thermodynamic properties of conserved water molecules in Mpro native: A combined approach by MD simulation and Grid Inhomogeneous Solvation Theory HR Bairagya, A Tasneem, D Sarmadhikari Proteins: Structure, Function, and Bioinformatics 92 (6), 735-749, 2024 | | 2024 |
Identification of potential therapeutic targets for COVID-19 through a structural-based similarity approach between SARS-CoV-2 and its human host proteins A Tasneem, A Sultan, P Singh, HR Bairagya, HH Almasoudi, ... Frontiers in Genetics 15, 1292280, 2024 | | 2024 |
A New Approach for Understanding the Mechanism and Drug Design of Chronic Myeloid Leukemia Responsive Protein: An In-Silico Study for the Design of Isoform Specific Anti … HR Bairagya, GP Rai, A Tasneem, S Reyaz Eliva Press-Europe (ISBN: 978-1952751516), 2020 | | 2020 |