Molecular Dynamics Simulation of Interaction between Functionalized Nanoparticles with Lipid Membranes: Analysis of Coarse-Grained Models M Das, U Dahal, O Mesele, D Liang, Q Cui The Journal of Physical Chemistry B 123 (49), 10547-10561, 2019 | 36 | 2019 |
A computational investigation of the red and blue shifts in hydrogen bonded systems M Das, SK Ghosh JOURNAL OF CHEMICAL SCIENCES 129 (7), 975-981, 2017 | 11 | 2017 |
Biophysical properties of the isolated spike protein binding helix of human ACE2 A Das, V Vishvakarma, A Dey, S Dey, A Gupta, M Das, KK Vishwakarma, ... Biophysical journal 120 (14), 2785-2792, 2021 | 7 | 2021 |
Computational studies of fibrillation induced selective cytotoxicity of cross-α amyloid–Phenol Soluble Modulin α3 M Das, S Dash, BL Bhargava Chemical Physics 535, 110777, 2020 | 7 | 2020 |
Exploring the candidates for a new protein folding–cross-α amyloid–in available protein databases M Das, BL Bhargava Physical Chemistry Chemical Physics 22 (41), 23725-23734, 2020 | 4 | 2020 |
Concept of reaction coordinate for dynamics of optically controlled non-equilibrium processes in condensed phase M Das, A Samanta, SK Ghosh Theoretical Chemistry Accounts 139 (2), 22, 2020 | 2 | 2020 |
AutoSIM: Redesigning and automating umbrella sampling for biomolecular conformational transitions M Das, R Venkatramani | | 2025 |
A Mode Evolution Metric to Extract Reaction Coordinates for Biomolecular Conformational Transitions M Das, R Venkatramani Journal of Chemical Theory and Computation 20 (19), 8422-8436, 2024 | | 2024 |
Quantitative views of protein dynamics through the computational microscope R Venkatramani, M Das, S Paul Biophysical Journal 122 (3), 422a, 2023 | | 2023 |
Factors that Affect the Binding of the N-Terminal Helix of Human ACE2 to Spike Protein of SARS-CoV2 A Das, V Vishvakarma, A Gupta, S Dey, A Dey, U Sandra, U Kolthur, ... Biophysical Journal 120 (3), 15a, 2021 | | 2021 |