| Influence of carbon nanomaterial defects on the formation of protein corona B Sengupta, WE Gregory, J Zhu, S Dasetty, M Karakaya, JM Brown, ... RSC advances 5 (100), 82395-82402, 2015 | 46 | 2015 |
| Influence of exhaust gas heating and L/D ratios on the discharge efficiencies for an activated carbon natural gas storage system PK Sahoo, BP Prajwal, SK Dasetty, M John, BL Newalkar, NV Choudary, ... Applied energy 119, 190-203, 2014 | 33 | 2014 |
| Adsorption of amino acids on graphene: assessment of current force fields S Dasetty, JK Barrows, S Sarupria Soft Matter 15 (11), 2359-2372, 2019 | 29 | 2019 |
| Simulations of interfacial processes: recent advances in force field development S Dasetty, PJ Meza-Morales, RB Getman, S Sarupria Current Opinion in Chemical Engineering 23, 138-145, 2019 | 16 | 2019 |
| Engineering lipases: walking the fine line between activity and stability S Dasetty, MA Blenner, S Sarupria Materials Research Express 4 (11), 114008, 2017 | 11 | 2017 |
| Rational engineering of low temperature activity in thermoalkalophilic Geobacillus thermocatenulatus lipase W Wang, S Dasetty, S Sarupria, M Blenner Biochemical Engineering Journal 174, 108093, 2021 | 7 | 2021 |
| Advancing Rational Control of Peptide–Surface Complexes S Dasetty, S Sarupria The Journal of Physical Chemistry B 125 (10), 2644-2657, 2021 | 6 | 2021 |
| PySAGES: Flexible, advanced sampling methods accelerated with GPUs PF Zubieta Rico, L Schneider, GR Pérez-Lemus, R Alessandri, S Dasetty, ... npj Computational Materials 10 (1), 35, 2024 | 5 | 2024 |
| Active learning of polarizable nanoparticle phase diagrams for the guided design of triggerable self-assembling superlattices S Dasetty, I Coropceanu, J Portner, J Li, JJ de Pablo, D Talapin, ... Molecular Systems Design & Engineering 7 (4), 350-363, 2022 | 3 | 2022 |
| Permutationally Invariant Networks for Enhanced Sampling (PINES): Discovery of Multimolecular and Solvent-Inclusive Collective Variables NSM Herringer, S Dasetty, D Gandhi, J Lee, AL Ferguson Journal of Chemical Theory and Computation 20 (1), 178-198, 2023 | 1 | 2023 |
| Understanding molecular interactions between proteins and carbon nanomaterials SK Dasetty Clemson University, 2015 | 1 | 2015 |
| Data-driven prediction of αIIbβ3 integrin activation paths using manifold learning and deep generative modeling S Dasetty, TC Bidone, AL Ferguson Biophysical Journal, 2023 | | 2023 |
| Predicting Activation Pathway of Integrin Using Generative Adversarial Networks and Targeted Molecular Dynamics Simulations S Dasetty, TC Bidone, GA Voth, A Ferguson 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Data-Driven Discovery of Linear Molecular Probes with Optimal Selective Affinity for PFAS in Water S Dasetty, M Topel, YO Tang, Y Wang, E Jonas, SB Darling, J Chen, ... Journal of Chemical & Engineering Data 68 (12), 3148-3161, 2023 | | 2023 |
| PySAGES: Flexible, advanced sampling methods accelerated with GPUs PFZ Rico, L Schneider, GR Pérez-Lemus, R Alessandri, S Dasetty, ... arXiv preprint arXiv:2301.04835, 2023 | | 2023 |
| Exploitation of active site flexibility-low temperature activity relation for engineering broad range temperature active enzymes S Dasetty, JWP Zajac, S Sarupria Molecular Systems Design & Engineering 8 (11), 1355-1370, 2023 | | 2023 |
| Active Learning of Optimal Linear Molecular Probes to Bind with per-and Polyfluoroalkyl Substances in Water S Dasetty, M Topel, Y Wang, SJ Rowan, SS Lee, SB Darling, CJ Benmore, ... 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Coarse-Grained Modeling of Polarizable Nanoparticle Assembly S Dasetty, I Coropceanu, DV Talapin, A Ferguson 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Inverse Design of Molecular Probes to Bind with Water Contaminants S Dasetty, Y Wang, SJ Rowan, SS Lee, SB Darling, CJ Benmore, R Willet, ... 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Advancing Rational Design of Peptide Self-Assembly at Surfaces S Dasetty, S Sarupria 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Sapna SarupriaAssociate Professor, Department of Chemistry, University of Minnesota Twin CitiesVerified email at umn.edu
