SR
Shampa Raghunathan
Also known as: Shampa Santra
École Centrale School of Engineering, Mahindra University, International Institute of Information Technology, Hyderabad, University of Stuttgart, University of Basel
0000-0002-8872-4411
Employment
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École Centrale School of Engineering, Mahindra University Assistant Professor2021 - Present
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International Institute of Information Technology, Hyderabad Research Scientist2017 - 2021
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University of Basel Research Associate2014 - 2015
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Technical University of Munich Research Associate2010 - 2012
Education
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University of Stuttgart PhD2006 - 2009
Projects & Funding
Projects & funding information is unavailable.
Publications (28)
- Machine-learned potentials for solvation modeling Save
- Graph Neural Network for 3‐Dimensional Structures Including Dihedral Angles for Molecular Property Prediction Save
- Graph neural network for 3-dimensional structures including dihedral angles for molecular property prediction Save
- Solvent accessible surface area-assessed molecular basis of osmolyte-induced protein stability Save
- Intramolecular proton transfer reaction dynamics using machine-learned ab initio potential energy surfaces Save
- Solvent accessible surface area-assessed molecular basis of osmolyte-induced protein stability Save
- Molecular representations for machine learning applications in chemistry Save
- MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards Save
- SCONES: Self-Consistent Neural Network for Protein Stability Prediction Upon Mutation Save
- Desolvation of peptide bond by O to S substitution impacts protein stability Save