Publications by authors named "Kaliappan Muthukumar"

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Computational modelling and optimization studies of electropentamer for molecular imprinting of DJ-1.
Marimuthu Dhinesh Kumar, Murugesan Karthikeyan, Ganesan Kaniraja, Kaliappan Muthukumar, Gurusamy Muneeswaran

J Mol Graph Model· May 2024

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Dynamics and fragmentation mechanism of (CHCH)Pt(CH) on SiO surfaces.
Kaliappan Muthukumar, Harald O Jeschke, Roser Valentí

Beilstein J Nanotechnol· February 2018

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Temperature-dependent conformational dynamics of cytochrome c: Implications in apoptosis.
Gurusamy Muneeswaran, Subramanian Kartheeswaran, Kaliappan Muthukumar, Chandran Karunakaran

J Mol Graph Model· January 2018

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Investigation of structural dynamics of Thrombocytopenia Cargeeg mutants of human apoptotic cytochrome c: A molecular dynamics simulation approach.
Gurusamy Muneeswaran, Subramanian Kartheeswaran, Manickam Pandiaraj, Kaliappan Muthukumar, Muniyandi Sankaralingam

Biophys Chem· November 2017

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Effects of different solvents on the conformations of apoptotic cytochrome c: Structural insights from molecular dynamics simulation.
Gurusamy Muneeswaran, Subramanian Kartheeswaran, Kaliappan Muthukumar, Christopher D Dharmaraj, Chandran Karunakaran

J Mol Graph Model· September 2017

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Dynamics of tungsten hexacarbonyl, dicobalt octacarbonyl, and their fragments adsorbed on silica surfaces.
Kaliappan Muthukumar, Roser Valentí, Harald O Jeschke

J Chem Phys· May 2014

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Giant pressure-induced volume collapse in the pyrite mineral MnS2.
Simon A J Kimber, Ashkan Salamat, Shaun R Evans, Harald O Jeschke, Kaliappan Muthukumar

Proc Natl Acad Sci U S A· April 2014

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Comparative structural and conformational studies on H43R and W32F mutants of copper-zinc superoxide dismutase by molecular dynamics simulation.
Gurusamy Muneeswaran, Subramanian Kartheeswaran, Kaliappan Muthukumar, Christopher D Dharmaraj, Chandran Karunakaran

Biophys Chem· January 2014

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Theoretical investigation of quinone metabolites of dopamine interaction with DNA--insights into toxicological effects.
Perumal Gurusamy, Kaliappan Muthukumar, Seenivasan Rajesh, Gurusamy Muneeswaran, Subbu Perumal

J Struct Biol· October 2012

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Spontaneous dissociation of Co(2)(CO)(8) and autocatalytic growth of Co on SiO(2): A combined experimental and theoretical investigation.
Kaliappan Muthukumar, Harald O Jeschke, Roser Valentí, Evgeniya Begun, Johannes Schwenk

Beilstein J Nanotechnol· October 2012

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