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IQAC CUSAT
RESEARCH PROFILES
JOURNAL PUBLICATIONS (RECENT) [TOTAL PUBLICATIONS : 42]
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Effect of ancillary ligand on DNA and protein interaction of the two Zn (II) and Co (III) complexes: experimental and theoretical study, , 2021
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Nature of C–N Bond in N-Heterocyclic Carbene, Chemical Physics Letters, Elsevier Vol. 765, 2021
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Dual-Site Binding of Quaternary Ammonium Ions as Internal K+-Ion Channel Blockers: Nonclassical (C–H•••O) H Bonding vs Dispersive (C–H•••H–C) Interaction, The Journal of Physical Chemistry B, American Chemical Society 2020
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S2N2 - A 6pi-Electron Ligand with Tunable sigma- and pi- Donor- Acceptor Property, ChemistrySelect, Chemistry Europe Vol. 5, 2020
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6pi, 8pi and 10pi Six Membered Sulfur Nitrogen Compounds: A Comparative Study with Organic Analogues, ChemistrySelect, Wiley-VCH on behalf of ChemPubSoc Europe Vol. 4, 2019
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Molecular mechanism of Be2+ -ion binding to HLA-DP2: tetrahedral coordination, conformational changes and multi-ion binding, Physical Chemistry Chemical Physics, Royal Society of Chemistry 2019
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Different Donor-Acceptor Interactions of Carbene Ligands in Heteroleptic Divalent Group-14 Compounds, LEL, Chemistry–A European Journal, WILEY?VCH Verlag Vol. 24, 2018
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Effect of Transition Metal Fragments on the Reverse Fritsch-Buttenberg-Wiechell Type Ring Contraction Reaction of Metallabenzynes to Metal-Carbene Complexes, The Journal of Physical Chemistry A, American Chemical Society Vol. 122, 2018
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Differential reactivity of 3H-indole styrylcyanines: Intermolecular [4pi + 2pi] cycloaddition vs. proton-shift coupled six-electron electrocyclization, Tetrahedron, Elsevier Vol. 74, 2018
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Roles of Different Amino-acid Residues Towards Binding and Selective Transport of K+ Through KcsA K+-ion Channel, Physical Chemistry Chemical Physics, Royal Society of Chemistry Vol. 20, 2018
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CONFERENCE PUBLICATIONS (RECENT) [TOTAL PUBLICATIONS : 33]
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A Theoretical Study on S2N2 Ligand Towards Transition Metal Complexes, CTriC 2020, 2020
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Effect of sidechain mutation for binding of PET by PET degrading enzyme PETase: A Molecular Dynamics Study, RTC2020, 2020
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A comparative molecular dynamics study on the effect of sidechain mutation for binding of PET by PET degrading enzymes PETase and cutinase, CTriC 2020, 2020
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PET binding in WT and DM TfCut2: A Molecular Dynamics Study, NACS2020, 2020
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Co-ordination impact of biogenic metal ion binding in structural dynamics of MHC Class II Proteins, CTriC 2020, 2020
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Allosteric signaling in TCR interface: Effect of Be2+ ion and its heavier congeners, NACS 2020, 2020
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Computational Modelling - Power of Prediction and How to Use It, Computational Chemistry - Chemistry Without Chemicals (CWC-2019), 2019
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TCR Recognition in Chronic Beryllium Disease - Molecular level Understanding of Be2+ Binding to HLADP2-Peptide Complex, Ninth Conference of the Asia-Pacific Association of Theoretical and Computational Chemists (APATCC 2019), 2019
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Molecular Level Understanding of Metal-ion Protein Interaction in K+-ion Channel and Development of Chronic Beryllium Disease, 16th Theoretical Chemistry Symposium (TCS-2019), from 13th to 16th February 2019 at BITS Pilani Campus, Rajasthan, India., 2019
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Molecular Modeling of Biomolecules – A QM/MM Approach, National Seminar on Recent Trends in Computational Chemistry and Drug Design at St. Joseph’s College (Autonomous), Irinjalakuda, Kerala, 2019
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AWARDS AND HONOURS
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EMBO visiting scientist fellowship in Germany from EMBO, in the year 2018
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INSPIRE Faculty Award from DST, in the year 2012
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RESEARCH PROJECTS
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"A Theoretical Study on the Enzymatic Catalysis by Methane Mono-oxygenase: Designing of Biomimetic Catalysis for the Conversion of Methane to Methanol" (DST- 2012 -2016 )
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"Photo-switchable K+ ion Channel Blockers: A Computational Quantum Mechanical Investigation of the Blocking Action and Design of Efficient Channel Blockers" (DST-INSA- 2013 -2019 )
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"Naked Carbon as a Bridging Ligand in Bimetallic Ruthenium Complexes - A Theoretical Study on the Formation, Stability, Bonding and Reactivity" (DST-EMR- 2017 --0001 )
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"Metal Mediated Immunotoxicity – A Molecular Level Understanding of Metal Binding to MHC-Peptide Complex and T Cell Recognition" (DST-SERB- 2020 --0001 )
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"A molecular level understanding of different binding modes and blocking action of quaternary ammonium ions with K+-ion channel" (Seed Money for New Research Initiatives- 2018 --0001 )
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