Vivek Sinha


Hi

I want to pursue a research career in Computational and Theoretical Chemistry. The very prospect of making predictions about profound chemical and biological systems without actually carrying out the experiments thrills me. I aim to use these techniques to address global challenges of sustainable energy and pollution free environment. My interests range from understanding protein folding and its computational study, study of photosystem II and artificial photosynthesis, protein-drug interactions using classical Molecular Dynamics simulations to understanding host-guest interactions in macrocycles (Cucurbituril) using DFT principles and exploring scope for hydrogen storage in materials (Cucurbiturils).

Research Paper Publications

    International Journals
  • “Can Functionalized Cucurbituril Bind Actinyl Cations Efficiently? A Density Functional Theory Based Investigation.”Authors: Mahesh Sundararajan, Vivek Sinha, Tusar Bandyopadhyay, Swapan K. Ghosh Publication details: J. Phys. Chem. A, 2012, 116 (17), pp 4388–4395
  • “Energetics of Ortho-7 (oxime drug) translocation through the active-site gorge of tabun-conjugated acetylcholinesterase.”Authors: Vivek Sinha, Bishwajit Ganguly and Tusar Bandyopadhyay Publication details :PLoS One. 2012; 7(7): e40188
  • “Density Functional Studies on Cation Binding efficiencies of CB-[6]: detailed exploration of host-guest interactions.”Authors: Vivek Sinha and Mahesh Sundararajan Publication details: Accepted for publication in proceedings of DAE-SSP (Dec 17-21, 2013) Symposium by American Institute of Physics.

© 2013 Vivek Sinha. Last Updated on 28/09/2013