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Madhusmita Tripathy
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Introducing memory in coarse-grained molecular simulations
V Klippenstein, M Tripathy, G Jung, F Schmid, NFA van der Vegt
The Journal of Physical Chemistry B 125 (19), 4931-4954, 2021
762021
Molecular structuring and percolation transition in hydrated sulfonated poly (ether ether ketone) membranes
M Tripathy, PBS Kumar, AP Deshpande
The Journal of Physical Chemistry B 121 (18), 4873-4884, 2017
192017
Fluid phase coexistence in biological membrane: Insights from local nonaffine deformation of lipids
SS Iyer, M Tripathy, A Srivastava
Biophysical journal 115 (1), 117-128, 2018
172018
Three-dimensional packing defects in lipid membrane as a function of membrane order
M Tripathy, S Thangamani, A Srivastava
Journal of Chemical Theory and Computation 16 (12), 7800-7816, 2020
152020
Molecular origin of spatiotemporal heterogeneity in biomembranes with coexisting liquid phases: Insights from topological rearrangements and lipid packing defects
M Tripathy, SS Iyer, A Srivastava
Advances in Biomembranes and Lipid Self-Assembly 28, 87-114, 2018
9*2018
Characterizing Polymer Hydration Shell Compressibilities with the Small-System Method
M Tripathy, S Bharadwaj, SJ B, NFA van der Vegt
Nanomaterials 10 (8), 1460, 2020
82020
Toward Transferable Coarse‐Grained Potentials for Poly‐Aromatic Hydrocarbons: A Force Matching Approach
M Tripathy, U Agarwal, PBS Kumar
Macromolecular Theory and Simulations 28 (1), 1800040, 2019
82019
Non-affine deformation of free volume during strain dependent diffusion in polymer thin films
S Mathesan, M Tripathy, A Srivastava, P Ghosh
Polymer 155, 177-186, 2018
72018
How Much Can We Coarse‐Grain while Retaining the Chemical Specificity? A Study of Sulfonated Poly (ether ether ketone)
M Tripathy, AP Deshpande, PBS Kumar
Macromolecular Theory and Simulations 25 (2), 155-169, 2016
62016
How does temperature affect the dynamics of SARS-CoV-2 M proteins? Insights from molecular dynamics simulations
SL Rath, M Tripathy, N Mandal
The Journal of Membrane Biology 255 (2), 341-356, 2022
52022
Dynamical coarse-grained models of molecular liquids and their ideal and non-ideal mixtures
M Tripathy, V Klippenstein, NFA Van der Vegt
The Journal of Chemical Physics 159 (9), 2023
22023
Lipid packing in biological membranes governs protein localization and membrane permeability
M Tripathy, A Srivastava
Biophysical Journal 122 (13), 2727-2743, 2023
22023
Anions and Cations Affect Amino Acid Dissociation Equilibria via Distinct Mechanisms
V Mandalaparthy, M Tripathy, NFA van der Vegt
The Journal of Physical Chemistry Letters 14 (41), 9250-9256, 2023
2023
Protein as evolvable functionally constrained amorphous matter
M Tripathy, A Srivastava, S Sastry, M Rao
Journal of Biosciences 47 (4), 73, 2022
2022
Solvation shell thermodynamics of extended hydrophobic solutes in mixed solvents
M Tripathy, S Bharadwaj, NFA van der Vegt
The Journal of Chemical Physics 156 (16), 2022
2022
How does temperature affect the dynamics of SARS-CoV-2 M proteins? Insights from Molecular Dynamics Simulations (preprint)
SL Rath, M Tripathy, N Mandal
2021
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Articles 1–16