Publications

17. Non-affine deformation analysis and 3D packing defects: A new way to probe membrane heterogeneity in molecular simulations 

     (Invited Book Chapter)

      Madhusmita Tripathy@ and Anand Srivastava

      Methods in Enzymology (Biophysical Approaches for the Study of Membrane Structure)  (2024)

      Editors: Tobais Baumgart and Markus Deserno 

16. Interactions of adsorbing cosolutes with hydrophobic hydration shells

      Swaminath Bharadwaj, Madhusmita Tripathy*@ and Nico F. A. van der Vegt

      Journal of Chemical Physics (2024) 

15. Anions and Cations Affect Amino Acid Dissociation Equilibria via Distinct Mechanisms

     Varun Mandalaparthy, Madhusmita Tripathy and Nico F. A. van der Vegt

     Journal of Physical Chemistry Letters (2023)

14. Dynamical coarse-grained models of molecular liquids and their ideal and non-ideal mixtures

 Madhusmita Tripathy@, Viktor Klippenstein  and Nico F. A. van der Vegt

  Journal of Chemical Physics (2023) 

13. Lipid Packing in Biological Membranes Governs Protein Localization and Membrane Permeability

     Madhusmita Tripathy@ and Anand Srivastava

      Biophysical Journal (2023)

12. Protein as evolvable functionally-constrained amorphous matter

     Madhusmita Tripathy, Anand Srivastava, Srikanth Sastry and Madan Rao

      Journal of Biosciences (2022)

11. How does temperature affect the dynamics of SARS-CoV-2 M proteins? Insights from Molecular Dynamics Simulations 

     Soumya Lipsa Rath, Madhusmita Tripathy@ and Nabanita Mandal

     Journal of Membrane Biology (2022) 

10. Solvation Shell Thermodynamics of Extended Hydrophobic Solutes in Mixed Solvents 

     Madhusmita Tripathy@, Swaminath Bharadwaj  and Nico F. A. van der Vegt

     Journal of Chemical Physics (2022) 

9. Introducing memory in coarse-grained molecular simulations   (Review article)

     Viktor Klippenstein, Madhusmita Tripathy*, Gerhard Jung, Friederike Schmid and Nico F. A. van der Vegt

     Journal of Physical Chemistry B (2021)

ACS Editors' Choice® article

8. Three-Dimensional Packing Defects in Lipid Membrane as a Function of Membrane Order

     Madhusmita Tripathy, Shubasini Thangamani and Anand Srivastava

     Journal of Chemical Theory and Computation (2020)

7. Characterizing Polymer Hydration Shell Compressibilities with the Small System Method

     Madhusmita Tripathy, Swaminath Bharadwaj  , Shadrack Jabes B.  and Nico F. A. van der Vegt

     Nanomaterials (2020) 

     Part of the special issue on  `Nanoscale Thermodynamics'

6. Toward transferable coarsegrained potentials for poly-aromatic hydrocarbons: A force matching approach

     Madhusmita Tripathy, Umang Agarwal and P B Sunil Kumar 

     Macromolecular Theory and Simulations (2019) 

5. Non-affine deformation of free volume during strain dependent diffusion in polymer thin films

     Santhosh Mathesan, Madhusmita Tripathy, Anand Srivastava and Pijush Ghosh 

     Polymer (2018) 

4. Fluid phase coexistence in biological membrane: Insights from local non-affine deformation of lipids

     Sahithya S Iyer , Madhusmita Tripathy* and Anand Srivastava 

     Biophysical Journal (2018) 

3.  Molecular origin of spatiotemporal heterogeneity in biomembranes with co-existing liquid phases: Insights from topological rearrangements and lipid packing defects  (Invited Book Chapter)

     Madhusmita Tripathy, Sahithya S Iyer and Anand Srivastava 

     Advances in Biomembranes and Lipid Self-Assembly (2018) 

     Editors: Aleš Iglič and Michael Rappolt and Ana J. García-Sáez

2.  Molecular structuring and percolation transition in hydrated sulfonated poly(ether ether ketone) membranes

     Madhusmita Tripathy, P B Sunil Kumar and Abhijit P Deshpande 

     Journal of Physical Chemistry B (2017)  

1. How much can we coarse-grain while retaining the chemical specificity? A study of sulfonated poly(ether ether ketone)

     Madhusmita Tripathy, Abhijit P Deshpande and P B Sunil Kumar 

     Macromolecular Theory and Simulations (2016)