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RSC Advances|June 24, 2025
In search of a photoswitchable drug for serotonin receptors: a molecular dynamics simulation studyArshjot S Dhaliwal, Arunima Verma, Padmabati Mondal
Physical Chemistry Chemical Physics : PCCP|May 7, 2026
Photophysics and complexation of indolic compounds: the effect of intra-annular and extra-annular substitutionSoumyadip Ray, Atheena Krishna D, Padmabati Mondal
Physical Chemistry Chemical Physics : PCCP|September 23, 2023
Controlled destabilization of caged circularized DNA oligonucleotides predicted by replica exchange molecular dynamics simulationsCarsten Hamerla, Padmabati Mondal, Rainer Hegger, et al.
The Journal of Chemical Physics|July 10, 2020
Non-conventional force fields for applications in spectroscopy and chemical reaction dynamicsDebasish Koner, Seyedeh Maryam Salehi, Padmabati Mondal, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 2, 2024
Molecular Analysis of Changes in DNA Binding Affinity and Bending Extent Induced by the Mutations on the Aromatic Amino Residues in Cren7K Geethika, Arunima Verma, Padmabati Mondal, et al.
Biophysical Journal|April 5, 2023
Molecular contacts in the Cren7-DNA complex: A quantitative investigation for electrostatic interactionGeethika K, Arunima Verma, Padmabati Mondal, et al.
The Journal of Chemical Physics|March 3, 2012
Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3Padmabati Mondal, Daniel Opalka, Leonid V Poluyanov, et al.
Chemical Science|June 15, 2018
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics studyPadmabati Mondal, Giovanni Granucci, Dominique Rastädter, et al.
The Journal of Physical Chemistry. A|May 7, 2011
Effect of surface modes on the six-dimensional molecule-surface scattering dynamics of H2-Cu(100) and D2-Cu(111) systemsTapas Sahoo, Subhankar Sardar, Padmabati Mondal, et al.
The Journal of Physical Chemistry. B|July 1, 2015
In Search of an Efficient Photoswitch for Functional RNA: Design Principles from a Microscopic Analysis of Azobenzene-linker-RNA Dynamics with Different LinkersPadmabati Mondal, Mithun Biswas, Thomas Goldau, et al.
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