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Shampa Raghunathan

5PUBLICATIONS

6CO-AUTHORS

Chemical thermodynamics and energeticsBiomolecular modelling and designCancer geneticsTheoretical quantum chemistry

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Publications (5)

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|Dec 30, 2025

Machine-learned potentials for solvation modeling.

Roopshree Banchode, Surajit Das, Shampa Raghunathan

|May 14, 2025

Graph Neural Network for 3-Dimensional Structures Including Dihedral Angles for Molecular Property Prediction.

Sri Abhirath Reddy Sangala, Shampa Raghunathan

|Aug 12, 2024

Solvent accessible surface area-assessed molecular basis of osmolyte-induced protein stability.

Shampa Raghunathan

|Jun 02, 2021

Multiscale Modeling of Wobble to Watson-Crick-Like Guanine-Uracil Tautomerization Pathways in RNA.

Shreya Chandorkar, Shampa Raghunathan, Tanashree Jaganade

|Nov 27, 2020

Polarizable Multipolar Molecular Dynamics Using Distributed Point Charges.

Mike Devereux, Marco Pezzella, Shampa Raghunathan

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Frequent Collaborators

1 joint publications

Mike Devereux

1 joint publications

Markus Meuwly

1 joint publications

U Deva Priyakumar

1 joint publications

Roopshree Banchode

1 joint publications

Surajit Das

1 joint publications

Raghunathan Ramakrishnan

Frequent Collaborators

1 joint publications

Mike Devereux

1 joint publications

Markus Meuwly

1 joint publications

U Deva Priyakumar

1 joint publications

Roopshree Banchode

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