Items where Author is "Mondal, Padmabati"
Number of items: 5. 2021Mondal, Padmabati and Cazade, Pierre-André and Das, Akshaya K. and Bereau, Tristan and Meuwly, Markus. (2021) Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine-Trimer. Journal of Physical Chemistry B, 125 (39). pp. 10928-10938 . 2020Koner, Debasish and Salehi, Seyedeh Maryam and Mondal, Padmabati and Meuwly, Markus. (2020) Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics. Journal of Chemical Physics, 153 (1). p. 1. 2018El Hage, Krystel and Mondal, Padmabati and Meuwly, Markus. (2018) Free energy simulations for protein ligand binding and stability. Molecular Simulation, 44 (13-14, Special Issue: Free Energy Simulations II). pp. 1044-1061. Mondal, Padmabati and Meuwly, Markus. (2018) Solvent Composition Drives the Rebinding Kinetics of Nitric Oxide to Microperoxidase. Scientific Reports, 8. p. 5281. 2017Mondal, Padmabati and Meuwly, Markus. (2017) Vibrational Stark spectroscopy for assessing ligand-binding strengths in a protein. Physical Chemistry Chemical Physics, 19 (24). pp. 16131-16143. |
