Browse by IITH Authors

Dasari, Sathish and Mallik, Bhabani S. (2020) Ion-induced free energy landscapes of Aβ33–42 peptide dimer in wet ionic liquids. Journal of Molecular Liquids, 318. p. 114026. ISSN 01677322

Dasari, Sathish and Mallik, Bhabani S. (2020) Conformational dynamics of amyloid-β (16–22) peptide in aqueous ionic liquids. RSC Advances, 10 (55). pp. 33248-33260. ISSN 2046-2069

Biswas, Aritri and Dasari, Sathish and Mallik, Bhabani S. (2020) Cohesiveness and Nondiffusive Rotational Jump Dynamics of Protic Ionic Liquid from Dispersion-Corrected FPMD Simulations. The Journal of Physical Chemistry B, 124 (47). pp. 10752-10765. ISSN 1520-6106

Dasari, Sathish and Mallik, Bhabani S. (2020) Conformational Free-Energy Landscapes of Alanine Dipeptide in Hydrated Ionic Liquids from Enhanced Sampling Methods. The Journal of Physical Chemistry B, 124 (31). pp. 6728-6737. ISSN 1520-6106

Priyadarsini, Adyasa and Dasari, Sathish and Mallik, Bhabani S. (2020) Thermophysical Properties and Angular Jump Dynamics of Water: A Comparative DFT and DFT-Dispersion-Based Molecular Dynamics Study. The Journal of Physical Chemistry A, 124 (29). pp. 6039-6049. ISSN 1089-5639