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Siva Dasetty

Observed names: Dasetty, Siva, Siva Kalyan Dasetty
ORCID: 0000-0002-1666-7980
Observed ORCID: 0000-0002-1666-7980
OpenAlex ID: A5089944094
Adsorption of amino acids on graphene: assessment of current force fields
2019 · Siva Dasetty, John K. Barrows, et al. · Soft Matter · 41
Influence of carbon nanomaterial defects on the formation of protein corona
2015 · Bishwambhar Sengupta, Wren E. Gregory, et al. · RSC Advances · 39
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
2025 · Gareth A. Tribello, Massimiliano Bonomi, et al. · The Journal of Chemical Physics · 36
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Influence of exhaust gas heating and L/D ratios on the discharge efficiencies for an activated carbon natural gas storage system
2014 · P.K. Sahoo, B.P. Prajwal, et al. · Applied Energy · 28
PySAGES: flexible, advanced sampling methods accelerated with GPUs
2024 · Pablo F. Zubieta Rico, Ludwig Schneider, et al. · npj Computational Materials · 27
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Simulations of interfacial processes: recent advances in force field development
2019 · Siva Dasetty, Paul J Meza-Morales, et al. · Current Opinion in Chemical Engineering · 25
Permutationally Invariant Networks for Enhanced Sampling (PINES): Discovery of Multimolecular and Solvent-Inclusive Collective Variables
2023 · Nicholas S. M. Herringer, Siva Dasetty, et al. · Journal of Chemical Theory and Computation · 23
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Rational engineering of low temperature activity in thermoalkalophilic Geobacillus thermocatenulatus lipase
2021 · Weigao Wang, Siva Dasetty, et al. · Biochemical Engineering Journal · 20
Reversible parts-per-trillion-level detection of perfluorooctane sulfonic acid in tap water using field-effect transistor sensors
2025 · Yuqin Wang, Hyun-June Jang, et al. · Nature Water · 17
Engineering Lipases: walking the fine line between activity and stability
2017 · Siva Dasetty, Mark A Blenner, et al. · Materials Research Express · 12
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Advancing Rational Control of Peptide–Surface Complexes
2021 · Siva Dasetty, Sapna Sarupria · The Journal of Physical Chemistry B · 9
Data-Driven Discovery of Linear Molecular Probes with Optimal Selective Affinity for PFAS in Water
2023 · Siva Dasetty, Maximilian Topel, et al. · Journal of Chemical & Engineering Data · 7
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Data-driven equation-free dynamics applied to many-protein complexes: The microtubule tip relaxation
2025 · Jiangbo Wu, Siva Dasetty, et al. · Biophysical Journal · 6
Data-driven prediction of αIIbβ3 integrin activation paths using manifold learning and deep generative modeling
2023 · Siva Dasetty, Tamara C. Bidone, et al. · Biophysical Journal · 6
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Active learning of polarizable nanoparticle phase diagrams for the guided design of triggerable self-assembling superlattices
2022 · Siva Dasetty, Igor Coropceanu, et al. · Molecular Systems Design & Engineering · 6
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Exploitation of active site flexibility-low temperature activity relation for engineering broad range temperature active enzymes
2023 · Siva Dasetty, Jonathan W. P. Zajac, et al. · Molecular Systems Design & Engineering · 5
Reversible ppt-Level Detection of Perfluorooctane Sulfonic Acid in Tap Water using Field-Effect Transistor Sensors
2024 · Yuqin Wang, Hyun-June Jang, et al. · ChemRxiv · 3
Understanding Molecular Interactions Between Proteins and Carbon Nanomaterials
2015 · Siva Dasetty · TigerPrints (Clemson University) · 1
Quantum-accurate atomistic modeling of enzyme catalysis using a machine learned potential
2026 · Gao, Meng, Zadeh, Armin Shayesteh, et al. · arXiv (Cornell University)
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Ultra coarse-grained modeling of chiral molecular fluids
2026 · Siva Dasetty, Trung Dac Nguyen, et al. · ChemRxiv
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Prediction of αIIbβ3 integrin structures along its minimum free energy activation pathway
2025 · Siva Dasetty, Robert E. Coffman, et al. · Biophysical Journal
Works count: 22
Citation count: 312
H-index: 10
I10-index: 10
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