Khair Bux
University of Karachi(PK)International Center for Chemical and Biological Sciences(PK)
Publications by Year
Research Areas
Protein Structure and Dynamics, SARS-CoV-2 and COVID-19 Research, Computational Drug Discovery Methods, Hemoglobin structure and function, Ionic liquids properties and applications
Most-Cited Works
- → Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites(2021)61 cited
- → Solvation of cholesterol in different solvents: a molecular dynamics simulation study(2019)29 cited
- → Morpholinium and Piperidinium Based Deep Eutectic Solvents for Synthesis of Pyrazole‐5‐Carbonitriles, Indoles and Tetrazoles: Bulk Properties via Molecular Dynamics Simulations(2018)14 cited
- → Inter-Subunit Dynamics Controls Tunnel Formation During the Oxygenation Process in Hemocyanin Hexamers(2021)8 cited
- → Hydration facilitates oxygenation of hemocyanin: perspectives from molecular dynamics simulations(2018)7 cited
- → Exploring interfacial dynamics in homodimeric S-ribosylhomocysteine lyase (LuxS) from Vibrio cholerae through molecular dynamics simulations(2021)6 cited
- → Structural dynamics of the β-coronavirus M pro protease ligand binding sites(2021)5 cited