Zainib Babar

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

Syed Shujait Ali, Dongqing Wei, Abbas Khan, 2020, Frontiers in Molecular Biosciences.

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

Syed Shujait Ali, Dongqing Wei, Mazhar I. Khan, 2020, Interdisciplinary Sciences: Computational Life Sciences.

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

Syed Shujait Ali, M. Waseem, Shahid Ali, 2020, Journal of biomolecular structure & dynamics.

Decoding the structure of RNA-dependent RNA-polymerase (RdRp), understanding the ancestral relationship and dispersion pattern of 2019 Wuhan Coronavirus

Syed Shujait Ali, Dongqing Wei, Mazhar I. Khan, 2020 .

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

Syed Shujait Ali, Dongqing Wei, M. T. Khan, 2020, Journal of biomolecular structure & dynamics.

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

Syed Shujait Ali, Dongqing Wei, Mazhar I. Khan, 2020, Interdisciplinary Sciences: Computational Life Sciences.

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

Syed Shujait Ali, Dongqing Wei, Abbas Khan, 2020, Interdisciplinary Sciences: Computational Life Sciences.

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

Syed Shujait Ali, Dongqing Wei, Abbas Khan, 2021, Interdisciplinary sciences, computational life sciences.