Publications from IISc/IBAB: 11.Membrane Catalysed formation of nucleotide clusters and their role in the origins of life: Insights from molecular simulations and lattice modelling, J. Phys. Chem. B., 2024, 128, 3121. DOI: 10.1021/acs.jpcb.3c08061 10.Computers in Organic Chemistry, Resonance, 2023, 28, 255. DOI: 10.1007/s12045-023-1547-y 9. Modeling vibronic spectra of linear aggregates in MATLAB, Student Journal of Physics, 2022, Accepted. 8. Parallel triplet formation pathways in a singlet fission material, Nat. Comm., 2022, 13, 5244. DOI: 10.1038/s41467-022-32844-6 7. Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides, Phys. Chem. Chem. Phys., 2022, 24, 18408. DOI: 10.1039/D2CP01306A 6. Cross-talk between overlap interactions in biomolecules: A case study of the beta-turn motif, Molecules, 2021, 26, 1533. DOI: 10.3390/molecules26061533 5. Double domain swapping in Human γC and γD crystallins drives early stages of aggregation, J. Phys. Chem. B, 2021, 125, 1705. DOI: 10.1021/acs.jpcb.0c07833 4. High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme, Nat. Comm, 2021, 12, 958. DOI: 10.1038/s41467-021-21105-7 3. Increasing protein stability by engineering the n → π* interaction at the β-turn, Chemical Science, 2020, 11, 9480-9487. DOI: 10.1039/D0SC03060K 2. Origin of Luminescence‐Based Detection of Metal Ions by Mn–Doped ZnS Quantum Dots, ChemistrySelect, 2019, 4, 13551- 13557. DOI: 10.1002/slct.201903769 1. Deuterium isotope effect in fluorescence of gaseous oxazine dyes, Phys. Chem. Chem. Phys., 2019, 21, 5759-5770. DOI: 10.1039/C8CP05731A