Chinnasamy Kalaiarasi

Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis

Saravanan Kandasamy, Chinnasamy Kalaiarasi, P. Kumaradhas · Journal of Biomolecular Structure and Dynamics · 2016 · 33 citations

Computational Chemistry, Chemistry, Chemical Biology +19

Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study

Chinnasamy Kalaiarasi, Mysore S. Pavan, P. Kumaradhas · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 25 citations

Synthesis and structural characterization of facile ruthenium(II) hydrazone complexes: Efficient catalysts in α-alkylation of ketones with primary alcohols via hydrogen auto transfer

Subbarayan Vijayapritha, Kaliyappan Murugan, Periasamy Viswanathamurthi et al. · Inorganica Chimica Acta · 2020 · 19 citations

Facile Ruthenium, Chemical Engineering, Engineering +8

Evaluation of binding and antagonism/downregulation of brilanestrant molecule in estrogen receptor-α via quantum mechanics/molecular mechanics, molecular dynamics and binding free energy calculations

Chinnasamy Kalaiarasi, Manjula Saravanan, P. Kumaradhas · Journal of Biomolecular Structure and Dynamics · 2019 · 15 citations

Charge density and electrostatic potential of hepatitis C anti-viral agent andrographolide: an experimental and theoretical study

Saravanan Manjula, Chinnasamy Kalaiarasi, Mysore S. Pavan et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2018 · 14 citations

Chemistry, Host Cell, Theoretical Study +17