Browse by IITH Authors

Article

Biswas, Sohag and Mallik, Bhabani S. (2020) Differing preferential ion binding to the peptide bond in ionic environment from classical and first principles molecular dynamics simulations. Journal of Molecular Liquids, 318. p. 114257. ISSN 01677322

Biswas, Sohag and Mallik, Bhabani S. (2020) Probing the vibrational dynamics of amide bands of N-methylformamide, N, N-dimethylacetamide, and N-methylacetamide in water. Computational and Theoretical Chemistry, 1190. p. 113001. ISSN 2210271X

Biswas, Sohag and Mallik, Bhabani S. (2020) Solvent-mediated dynamics and stretching profile of amide modes: QM/MM simulations of N-methylacetamide in ionic and various molecular liquids. Journal of Molecular Liquids, 317. p. 114202. ISSN 01677322