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Chinnasamy Kalaiarasi

Observed names: C. Kalaiarasi, Chinnasamy, Kalaiarasi, Kalaiarasi Chinnasamy, Kalaiarasi, C., Kalaiarasi, Chinnasamy
ORCID: 0000-0002-0300-5005
Observed ORCID: 0000-0002-0300-5005
OpenAlex ID: A5038748525
Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis
2016 · Kandasamy Saravanan, Chinnasamy Kalaiarasi, et al. · Journal of Biomolecular Structure and Dynamics · 33
Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study
2016 · Chinnasamy Kalaiarasi, Mysore S Pavan, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 26
Synthesis and structural characterization of facile ruthenium(II) hydrazone complexes: Efficient catalysts in α-alkylation of ketones with primary alcohols via hydrogen auto transfer
2020 · Subbarayan Vijayapritha, Kaliyappan Murugan, et al. · Inorganica Chimica Acta · 18
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
2019 · Kalaiarasi Chinnasamy, Manjula Saravanan, et al. · Journal of Biomolecular Structure and Dynamics · 17
Charge density and electrostatic potential of hepatitis C anti-viral agent andrographolide: an experimental and theoretical study
2018 · Saravanan Manjula, Chinnasamy Kalaiarasi, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 14
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
2021 · Jaganathan Ramakrishnan, Saravanan Kandasamy, et al. · Applied Biochemistry and Biotechnology · 13
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Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole
2019 · Chinnasamy Kalaiarasi, Christy George, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 12
Investigation of binding mechanism and downregulation of elacestrant for wild and L536S mutant estrogen receptor‐α through molecular dynamics simulation and binding free energy analysis
2019 · Kalaiarasi Chinnasamy, Manjula Saravanan, et al. · Journal of Computational Chemistry · 12
Combined quantum mechanics/molecular mechanics (QM/MM) methods to understand the charge density distribution of estrogens in the active site of estrogen receptors
2019 · C. Kalaiarasi, S. Manjula, et al. · RSC Advances · 11
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Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis
2018 · Ancy Iruthayaraj, Kalaiarasi Chinnasamy, et al. · Journal of Molecular Structure · 11
Crystal structure and theoretical charge density studies of dilantin molecule
2018 · Chinnasamy Kalaiarasi, Pachamuthu Sangeetha, et al. · Journal of Molecular Structure · 11
Synthesis and Antibacterial Activity of New N‐Substituted Hexahydroquinolinone Derivatives and X‐Ray Crystallographic Studies
2020 · Nangagoundan Vinoth, Chinnasamy Kalaiarasi, et al. · ChemistrySelect · 8
Intermolecular interactions and charge density distribution of endocrine-disrupting molecules (xenoestrogens) with ERα: QM/MM perspective
2020 · Kalaiarasi Chinnasamy, Kumaradhas Poomani · Structural Chemistry · 8
Investigation of bond topological and electrostatic properties of plumbagin molecule: An experimental and theoretical charge density study
2020 · Chinnasamy Kalaiarasi, Magudeeswaran Sivanandam, et al. · Journal of Molecular Structure · 7
Structure and charge density distribution of amine azide based hypergolic propellant molecules: a theoretical study
2015 · Gopal Kandhakumar, Chinnasamy Kalaiarasi, et al. · Canadian Journal of Chemistry · 7
A Structural and In Silico Investigation of Potential CDC7 Kinase Enzyme Inhibitors
2023 · Mohanbabu Mookkan, Saravanan Kandasamy, et al. · ACS Omega · 6
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One-pot synthesis of benzo[4,5]imidazo[1,2-c]quinazolin-6(5H)-ones under catalyst-free conditions and their X-ray crystallographic studies
2021 · Nangagoundan Vinoth, Chinnasamy Kalaiarasi, et al. · Journal of Molecular Structure · 4
A physicochemical rationale for the varied catalytic efficiency in RNase J paralogues
2024 · Ankur Kumar Singh, Kalaiarasi Chinnasamy, et al. · Journal of Biological Chemistry · 1
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Innovative and sustainable synthesis and structure of novel N‐substituted hexahydroacridine derivatives
2024 · Nangagoundan Vinoth, Chinnasamy Kalaiarasi, et al. · Journal of Physical Organic Chemistry · 1
Supramolecular architectures, Hirshfeld surface analysis of 2-Amino 4-methyl pyridinium 4 amino salicylate and 2-Amino 4-methyl pyridinium 5 chloro salicylate
2021 · Suganya Suresh, Karthikeyan Ammasai, et al. · Chemical Data Collections · 1
BPS2025 - Catalytic mechanism of a bifunctional ribonuclease with a single metal ion
2025 · Ankur K. Singh, Kalaiarasi Chinnasamy, et al. · Biophysical Journal
CCDC 2281430: Experimental Crystal Structure Determination
2023 · Kalaiarasi, C. · The Cambridge Structural Database
The effect of genotype variation and M423 resistance mutations to the binding of phosphonomidate-based inhibitor IDX17119 with the thumb-II domain of Hepatitis C virus RdRp: an integrated molecular dynamics and binding free energy study
2022 · Saravanan Manjula, Chinnasamy Kalaiarasi, et al. · Molecular Simulation
CCDC 1962678: Experimental Crystal Structure Determination
2021 · Vinoth, Nangagoundan, Kalaiarasi, Chinnasamy, et al. · The Cambridge Structural Database
CCDC 1958542: Experimental Crystal Structure Determination
2021 · Suganya, Suresh, Karthikeyan, Ammasai, et al. · The Cambridge Structural Database
Works count: 36
Citation count: 221
H-index: 11
I10-index: 11
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