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List of works by Kandasamy Saravanan

A cytotoxicity, optical spectroscopy and computational binding analysis of 4-[3-acetyl-5-(acetylamino)-2-methyl-2,3-dihydro-1,3,4-thiadiazole-2-yl]phenyl benzoate in calf thymus DNA

scientific article published on 26 March 2018

Acylguanidine-BACE1 complex: Insights of intermolecular interactions and dynamics

scientific article published on 17 December 2018

Binding and stability of indirubin-3-monoxime in the GSK3β enzyme: a molecular dynamics simulation and binding free energy study

scientific article published on 09 April 2019

Binding mechanism of naringenin with monoamine oxidase - B enzyme: QM/MM and molecular dynamics perspective

scientific article published on 08 April 2021

Discovery of new potential triplet acting inhibitor for Alzheimer's disease via X-ray crystallography, molecular docking and molecular dynamics

scientific article published on 30 May 2019

Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study

scientific article published on 03 August 2019

Insights into intermolecular interactions, electrostatic properties and the stability of C646 in the binding pocket of p300 histone acetyltransferase enzyme: a combined molecular dynamics and charge density study

scientific article published on 26 September 2017

Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis

scientific article published on 19 November 2018

Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug: Evaluation from Molecular Docking and Molecular Dynamics Simulations

scientific article published on 29 January 2021

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

scientific article published on 04 January 2017

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