0000-0003-1836-6951 About
Computational chemist with expertise in molecular dynamics simulations, computational biochemistry, chiral recognition, chromatographic method development, and molecular modeling. Published 45 peer-reviewed articles (h-index 19, >1300 citations) with recent research activities focusing on molecular dynamics simulations of adsorption phenomena at ice interfaces using GROMACS and the TIP4P/Ice model. Interested in atmospheric chemistry, environmental molecular simulations, and computational studies of interfacial processes.
Employment
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Siddhartha (PG) College Assistant Professor2023 - Present
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (22)
- Gromacs-Based Molecular Dynamics Investigation of Enantioselective Adsorption of Chiral Pollutant (R/S-Flufiprole) on Ice using TIP4P/Ice Model Save
- Theoretical DFT study of stereoselective hydrolysis of enantiomers of naproxen Save
- Biophysical chemistry behind sickle cell anemia and the mechanism of voxelotor action Save
- A quantum chemistry background of sickle cell anemia and gaps in antisickling drug development Save
- Green synthesis of uracil derivatives, DNA binding study and docking-based evaluation of their anti-cancer and anti-viral potencies Save
- Advances in graphene-based materials for the treatment of water Save
- In vitro anticancer, antioxidant and DNA-binding study of the bioactive ingredient of clove and its isolation Save
- Role of Ionic Liquids in Capillary Electrophoresis Save
- A theoretical density functional theory calculation-based analysis of conformers of p-xylene Save
- Graphene: A future science material for water treatment Save