Arun John

Virtual screening, molecular dynamics, and binding free energy calculations on human carbonic anhydrase IX catalytic domain for deciphering potential leads

Arun John, Muthukumaran Sivashanmugam, Umashankar Vetrivel et al. · Journal of Biomolecular Structure and Dynamics · 2016 · 32 citations

A molecular model of human Lysyl Oxidase (LOX) with optimal copper orientation in the catalytic cavity for induced fit docking studies with potential modulators

Bhuvanasundar Renganathan, Arun John, Konerirajapuram Natarajan Sulochana et al. · Bioinformation · 2014 · 23 citations · Full text

Protein Assembly, Molecular Biology, Chemical Biology +18

Comparative Modeling and Molecular Dynamics Simulation of Substrate Binding in Human Fatty Acid Synthase: Enoyl Reductase and β-Ketoacyl Reductase Catalytic Domains

Arun John, Umashankar Vetrivel, Subramanian Krishnakumar et al. · Genomics & Informatics · 2015 · 22 citations · Full text

Computational modeling of novel inhibitory peptides targeting proteoglycan like region of carbonic anhydrase IX and <i>in vitro</i> validation in HeLa cells

Arun John, Muthukumaran Sivashanmugam, Sulochana Konerirajapuram Natarajan et al. · Journal of Biomolecular Structure and Dynamics · 2019 · 15 citations

Biosorption of methylene blue in aqueous solution using structurally modified rice husk and its notable compatibility, biosafety potential – A sustainable approach towards the management of hazardous dyes

S. Karthick Raja Namasivayam, G. Grishma, Arun John et al. · Journal of environmental chemical engineering · 2023 · 15 citations