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1 |
parasuraman p |
Computational physics |
Journal of Molecular Recognition |
Insights into the binding specificity of wild type and mutated wheat germ agglutinin towards Neu5Acα(2-3)Gal: a study by in silico mutations and molecular dynamics simulations |
2014 |
Web Link
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2 |
parasuraman p |
Computational physics |
Journal of Molecular Recognition |
Theoretical investigation on the glycan-binding specificity of Agrocybe cylindracea galectin using molecular modelling and molecular dynamics simulation studies |
2015 |
Web Link
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3 |
parasuraman p |
Computational physics |
Journal of Carbohydrate Chemistry |
Geometry Optimization of Carbohydrate Binding Sites of Influenza: A Quantum Mechanical Approach |
2015 |
Web Link
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4 |
sadasivam k |
Computational physics |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
Experimental and DFT studies on the antioxidant activity of a C-glycoside from Rhynchosia capitata |
2013 |
Web Link
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5 |
sadasivam k |
Computational physics |
International Journal of Pharma and Bio Sciences |
Simultaneous determination of phytochemicals in rhynchosia capitata by RP-HPLC and GC/MS |
2013 |
Web Link
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6 |
sadasivam k |
Computational physics |
SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy |
Experimental and theoretical investigation of p-n alkoxy benzoic acid based liquid crystals - A DFT approach |
2014 |
Web Link
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7 |
sadasivam k |
Computational physics |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
Experimental and theoretical investigations on the antioxidant activity of isoorientin from Crotalaria globosa |
2014 |
Web Link
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8 |
sadasivam k |
Computational physics |
Journal of Molecular Structure |
Antioxidant potential of orientin: A combined experimental and DFT approach |
2014 |
Web Link
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9 |
sadasivam k |
Computational physics |
International Journal of Pharma and Bio Sciences |
HPTLC analysis and in vitro antihemolytic activity of flavonoids from crotalaria globosa |
2014 |
Web Link
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10 |
sadasivam k |
Computational physics |
Journal of Molecular Structure |
DFT studies on antioxidant mechanisms, electronic properties, spectroscopic (FTIR and UV) and NBO analysis of C-glycosyl flavone, an isoorientin |
2015 |
Web Link
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11 |
sadasivam k |
Computational physics |
AIP conference proceedings |
Theoretical investigations on the structure and properties of p-n-alkoxy benzoic acid based liquid crystals |
2016 |
Web Link
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12 |
sadasivam k |
Computational physics |
AIP Conference Proceedings |
Theoretical simulations on the antioxidant mechanism of naturally occurring flavonoid: A DFT approach |
2016 |
Web Link
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13 |
sadasivam k |
Computational physics |
Journal of Molecular Structure |
DFT Study of Glycosyl Group Reactivity in Quercetin Derivatives |
2016 |
Web Link
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14 |
sadasivam k |
Computational physics |
Molecular Crystals and Liquid Crystals |
TD - DFT, NBO Analyses and Electronic, NLO properties of Hydrogen Bonded Undecyloxy Benzoic Acid with Suberic Acid Mesogen |
2017 |
Web Link
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15 |
sadasivam k |
Computational physics |
Indian Journal of Chemistry |
DFT calculations of effective reactive sites of inositol |
2017 |
Web Link
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16 |
sadasivam k |
Computational physics |
Indian Journal of Chemistry |
DFT studies on role of methoxy group in radical scavenging ability of quebrachitol and viscumitol |
2017 |
Web Link
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17 |
sadasivam k |
Computational physics |
AIP Conference Proceedings |
Radical scavenging behavior of eriodictyol and fustin flavonoid compounds A DFT study |
2018 |
Web Link
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18 |
sadasivam k |
Computational physics |
Structural Chemistry |
Comparison of radical scavenging behavior of chromones dihydrogenistein and demethyltexasin a DFT approach |
2018 |
Web Link
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19 |
sadasivam k |
Computational physics |
Journal of Advanced Research in Dynamical and Control Systems |
Computation studies on structural activity of 3-O glycosilated quercetin |
2018 |
Web Link
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20 |
sadasivam k |
Computational physics |
International journal of pharmaceutical science and research |
Methylation effect of apigenin 8 C glucoside towards antioxidant activity - a dft study |
2019 |
Web Link
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21 |
sadasivam k |
Computational physics |
Journal of Molecular Modeling |
Target prediction and antioxidant analysis on isoflavones of demethyltexasin: a DFT study |
2019 |
Web Link
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22 |
sadasivam k |
Computational physics |
AIP Conference proceedings |
Local orbital locator analysis of isomeric compounds of luteolin and apigenin |
2019 |
Web Link
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23 |
sadasivam k |
Computational physics |
AIP Conference proceedings |
Prediction of biological activities of phytoestrogen and its derivative â?? A Insilico study |
2019 |
Web Link
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24 |
sadasivam k |
Computational physics |
AIP Conference proceedings |
A charge density study to explore the effect of Au and Pt atoms in thiol substituted Oligo (phenylene ethynylene) molecular nanowires |
2019 |
Web Link
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25 |
sadasivam k |
Computational physics |
Structural Chemistry |
Theoretical assessment of antioxidant property of polyproponoid and its derivatives |
2019 |
Web Link
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