• BISWA JYOTI DUTTA

      Articles written in Journal of Chemical Sciences

    • On the effect of external perturbation on amino acid salt bridge: a DFT study

      BISWA JYOTI DUTTA NABAJIT SARMAH PRADIP KR BHATTACHARYYA

      More Details Abstract Fulltext PDF

      Effect of external perturbation (in terms of external electric field and solvents) on the stability of lysine-aspartic acid salt bridge was analyzed by density functional theory. Because of solvation, interaction energy in the aqueous phase is much lower as compared to gas phase. Interaction energy as well as stability (measured in terms of global hardness, HOMO energy and total electronic energy) are observed to be sensitive towards the strength and direction of the applied electric field. Gap between HOMO energy of the acids and salt bridge also points towards the feasibility of hydrogen bonding.

  • Journal of Chemical Sciences | News

© 2021-2022 Indian Academy of Sciences, Bengaluru.