Research Repository Details | Bannari Amman Institute of Technology

Research Repository

S No Faculty Name Area of specialization Journal Name Title of the Paper Published Year Link
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
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
3 parasuraman p Computational physics Journal of Carbohydrate Chemistry Geometry Optimization of Carbohydrate Binding Sites of Influenza: A Quantum Mechanical Approach 2015 Web Link
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
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
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
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
8 sadasivam k Computational physics Journal of Molecular Structure Antioxidant potential of orientin: A combined experimental and DFT approach 2014 Web Link
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
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
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
12 sadasivam k Computational physics AIP Conference Proceedings Theoretical simulations on the antioxidant mechanism of naturally occurring flavonoid: A DFT approach 2016 Web Link
13 sadasivam k Computational physics Journal of Molecular Structure DFT Study of Glycosyl Group Reactivity in Quercetin Derivatives 2016 Web Link
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
15 sadasivam k Computational physics Indian Journal of Chemistry DFT calculations of effective reactive sites of inositol 2017 Web Link
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
17 sadasivam k Computational physics AIP Conference Proceedings Radical scavenging behavior of eriodictyol and fustin flavonoid compounds A DFT study 2018 Web Link
18 sadasivam k Computational physics Structural Chemistry Comparison of radical scavenging behavior of chromones dihydrogenistein and demethyltexasin a DFT approach 2018 Web Link
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
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
21 sadasivam k Computational physics Journal of Molecular Modeling Target prediction and antioxidant analysis on isoflavones of demethyltexasin: a DFT study 2019 Web Link
22 sadasivam k Computational physics AIP Conference proceedings Local orbital locator analysis of isomeric compounds of luteolin and apigenin 2019 Web Link
23 sadasivam k Computational physics AIP Conference proceedings Prediction of biological activities of phytoestrogen and its derivative â?? A Insilico study 2019 Web Link
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
25 sadasivam k Computational physics Structural Chemistry Theoretical assessment of antioxidant property of polyproponoid and its derivatives 2019 Web Link