Projects per year
Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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Collaborations and top research areas from the last five years
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Collaborative Research: Frameworks: Enabling reproducible research in soft materials with the Multiscale Polymer Toolkit (MuPT)
Sarupria, S. (PI)
THE NATIONAL SCIENCE FOUNDATION
10/1/24 → 9/30/27
Project: Research project
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NRT-HDR: Data-Driven Discovery and Engineering from Atoms to Processes (3DEAP)
Daoutidis, P. (PI), Sarupria, S. (CoI), Bartel, C. J. (Other Role), Boehnke, N. (Other Role), Karypis, G. (Other Role), Reineke, T. M. (Other Role), Tadmor, E. B. (Other Role) & Zhang, Q. (Other Role)
THE NATIONAL SCIENCE FOUNDATION
9/1/24 → 8/31/29
Project: Research project
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Sampling nucleation and growth in solution and reactive systems using molecular simulations
Sarupria, S. (PI)
U.S. DEPARTMENT OF ENERGY (USDOE)
9/1/24 → 6/30/26
Project: Research project
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CR: DMREF: Predicting Molecular Interactions to Stabilize Viral Therapies
Sarupria, S. (PI)
THE NATIONAL SCIENCE FOUNDATION
6/15/23 → 9/30/25
Project: Research project
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CR: CyberTraining: Implementation: Medium: Establishing Sustainable Ecosystem for Computational Molecular Science Training and Education
Sarupria, S. (PI)
THE NATIONAL SCIENCE FOUNDATION
12/1/21 → 1/31/26
Project: Research project
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Flipping out: role of arginine in hydrophobic interactions and biological formulation design
Zajac, J. W. P., Muralikrishnan, P., Tohidian, I., Zeng, X., Heldt, C. L., Perry, S. L. & Sarupria, S., Mar 11 2025, In: Chemical Science. 16, 16, p. 6780-6792 13 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic Trajectories
Hall, S. W., Minh, P. & Sarupria, S., Apr 22 2025, In: Journal of Chemical Theory and Computation. 21, 8, p. 4121-4133 13 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Machine Learning Reveals Amine Type in Polymer Micelles Determines mRNA Binding, In Vitro, and In Vivo Performance for Lung-Selective Delivery
Panda, S., Eaton, E. J., Muralikrishnan, P., Stelljes, E. M., Seelig, D., Leyden, M. C., Gilkey, A. K., Barnes, J. T., Morrissey, D. V., Sarupria, S., Moriarity, B. S. & Reineke, T. M., Apr 28 2025, In: JACS Au. 5, 4, p. 1845-1861 17 p.Research output: Contribution to journal › Article › peer-review
Open Access -
N-Branched Tricyclic Guanidines as Novel Melanocortin-3 Receptor Agonists and Melanocortin-4 Receptor Antagonists
Weirath, N. A., Zajac, J. W. P., Donow, H. M., Lavoi, T. M., Pinilla, C., Santos, R. G., Prajapati, R., Speth, R., Ericson, M. D., Sarupria, S., Giulianotti, M. A. & Haskell-Luevano, C., Feb 13 2025, In: Journal of medicinal chemistry. 68, 3, p. 2504-2527 24 p.Research output: Contribution to journal › Article › peer-review
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Towards stable biologics: understanding co-excipient effects on hydrophobic interactions and solvent network integrity
Zajac, J. W. P., Muralikrishnan, P., Heldt, C. L., Perry, S. L. & Sarupria, S., Mar 4 2025, In: Molecular Systems Design and Engineering. 10, 6, p. 432-446 15 p.Research output: Contribution to journal › Article › peer-review