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Journal of Chemical Theory and Computation|April 21, 2026
Generative Machine Learning of Conformational Ensembles of Intrinsically Disordered Proteins: Progress and OpportunitiesIrawati Roy, Jagannath MondalDrug Development Research|October 22, 2018
A brief appraisal of computational modeling of antimicrobial peptides' activityJagannath MondalThe Journal of Physical Chemistry. B|July 9, 2021
Mechanistic Insights on ATP's Role as a HydrotropeSusmita Sarkar, Jagannath MondalThe Journal of Chemical Physics|September 10, 2018
Assessment and optimization of collective variables for protein conformational landscape: GB1 β-hairpin as a case studyNavjeet Ahalawat, Jagannath MondalThe Journal of Chemical Physics|September 17, 2025
How good is generative diffusion model for enhanced sampling of protein conformations across scales and in all-atom resolution?Palash Bera, Jagannath MondalBiophysical Chemistry|September 4, 2024
Simulating the anti-aggregative effect of fasudil in early dimerisation process of α-synucleinSneha Menon, Jagannath MondalThe Journal of Physical Chemistry. B|October 31, 2023
Machine Learning Subtle Conformational Change due to Phosphorylation in Intrinsically Disordered ProteinsSubinoy Adhikari, Jagannath MondalThe Journal of Chemical Physics|September 23, 2021
A deep autoencoder framework for discovery of metastable ensembles in biomacromoleculesSatyabrata Bandyopadhyay, Jagannath MondalThe Journal of Physical Chemistry. B|April 28, 2023
Conformational Plasticity in α-Synuclein and How Crowded Environment Modulates ItSneha Menon, Jagannath MondalThe Journal of Physical Chemistry. B|October 5, 2016
How Does a Hydrophobic Macromolecule Respond to a Mixed Osmolyte Environment?Indrajit Tah, Jagannath MondalPageof 14