Effects of Metal Ions on Aβ42 Peptide Conformations from Molecular Simulation Studies P Khatua, S Mondal, S Bandyopadhyay Journal of Chemical Information and Modeling 59 (6), 2879-2893, 2019 | 15 | 2019 |
Contrasting effects of ionic liquids of varying degree of hydrophilicity on the conformational and interfacial properties of a globular protein KP Ghanta, S Mondal, S Mondal, S Bandyopadhyay The Journal of Physical Chemistry B 125 (33), 9441-9453, 2021 | 10 | 2021 |
Dynamic heterogeneity at the interface of an intrinsically disordered peptide S Mondal, KP Ghanta, S Bandyopadhyay Journal of Chemical Information and Modeling 62 (8), 1942-1955, 2022 | 7 | 2022 |
Importance of Solvent in Guiding the Conformational Properties of an Intrinsically Disordered Peptide S Mondal, S Mondal, S Bandyopadhyay Langmuir 37 (49), 14429-14442, 2021 | 4 | 2021 |
Impact of an ionic liquid on amino acid side chains: a perspective from molecular simulation studies KP Ghanta, S Mondal, T Hajari, S Bandyopadhyay Journal of Chemical Information and Modeling 63 (3), 959-972, 2023 | 3 | 2023 |
Effect of aggregated Aβ protofilaments on intermolecular vibrational spectrum of confined water P Khatua, S Mondal, S Bandyopadhyay Journal of Chemical Sciences 132, 1-11, 2020 | 3 | 2020 |
Microscopic Understanding of the Conformational Stability of the Aggregated Nonamyloid β Components of α-Synuclein S Mondal, KP Ghanta, S Bandyopadhyay Journal of Chemical Information and Modeling 63 (5), 1542-1555, 2023 | 1 | 2023 |
In Silico Studies to Predict the Role of Solvent in Guiding the Conformations of Intrinsically Disordered Peptides and Their Aggregated Protofilaments P Khatua, S Mondal, M Gupta, S Bandyopadhyay ACS omega 7 (48), 43337-43345, 2022 | 1 | 2022 |
Exploring Conformational Landscapes Along Anharmonic Low-Frequency Vibrations S Mondal, MA Sauer, M Heyden arXiv preprint arXiv:2403.12174, 2024 | | 2024 |
Predicting conformational transitions along highly anharmonic vibrational modes S Mondal, M Sauer, M Heyden Biophysical Journal 123 (3), 16a, 2024 | | 2024 |
High-throughput sampling of protein dynamics at different stages in evolution M Sauer, S Mondal, M Heyden Biophysical Journal 123 (3), 33a, 2024 | | 2024 |
Conformational Properties of Aβ Peptide Oligomers in Aqueous Ionic Liquid Solution: Insights from Molecular Simulation Studies S Sahoo, T Pal, S Mondal, KP Ghanta, S Bandyopadhyay The Journal of Physical Chemistry B 127 (51), 10960-10973, 2023 | | 2023 |
Vibrational spectrum and randomness of water at the interface of a protein–DNA complex S Mondal, KP Ghanta, S Mondal, S Bandyopadhyay Theoretical Chemistry Accounts 142 (8), 75, 2023 | | 2023 |
Computational Investigations of Intrinsically Disordered Peptides in Monomeric and Aggregated States in Aqueous Solutions S Mondal IIT Kharagpur, 2022 | | 2022 |