Zainib Babar

Phylogenetic Analysis and Structural Perspectives of RNA-Dependent RNA-Polymerase Inhibition from SARs-CoV-2 with Natural Products

Abbas Khan, Mazhar Khan, Shoaib Saleem et al. · Interdisciplinary Sciences Computational Life Sciences · 2020 · 103 citations · Full text

Life Sciences, Biology, Molecular Biology +17

Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)

Abbas Khan, Syed Shujait Ali, Muhammad Tahir Khan et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 102 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +16

Dynamics Insights Into the Gain of Flexibility by Helix-12 in ESR1 as a Mechanism of Resistance to Drugs in Breast Cancer Cell Lines

Abbas Khan, Ashfaq Ur Rehman, Muhammad Junaid et al. · Frontiers in Molecular Biosciences · 2020 · 46 citations · Full text

Medicine, Molecular Biology, Oncology +15

In Silico Mutagenesis-Based Remodelling of SARS-CoV-1 Peptide (ATLQAIAS) to Inhibit SARS-CoV-2: Structural-Dynamics and Free Energy Calculations

Abbas Khan, Shaheena Umbreen, Asma Hameed et al. · Interdisciplinary Sciences Computational Life Sciences · 2021 · 30 citations · Full text

Life Sciences, Medicinal Chemistry, Molecular Biology +14

Drug similarity and structure-based screening of medicinal compounds to target macrodomain-I from SARS-CoV-2 to rescue the host immune system: a molecular dynamics study

Zainib Babar, Mazhar Khan, Mubeen Zahra et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 19 citations · Full text

Life Sciences, Infectious Diseases, Pharmacology +17