Spremljaj
Siva Dasetty
Siva Dasetty
Druga imenaSiva Kalyan Dasetty
Postdoc in Molecular Engineering, University of Chicago
Preverjeni e-poštni naslov na uchicago.edu - Domača stran
Naslov
Navedeno
Navedeno
Leto
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
482015
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
362014
Adsorption of amino acids on graphene: assessment of current force fields
S Dasetty, JK Barrows, S Sarupria
Soft Matter 15 (11), 2359-2372, 2019
342019
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
242019
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
162021
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
132023
Engineering lipases: walking the fine line between activity and stability
S Dasetty, MA Blenner, S Sarupria
Materials Research Express 4 (11), 114008, 2017
122017
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
102024
Advancing Rational Control of Peptide–Surface Complexes
S Dasetty, S Sarupria
The Journal of Physical Chemistry B 125 (10), 2644-2657, 2021
62021
Data-driven prediction of αIIbβ3 integrin activation paths using manifold learning and deep generative modeling
S Dasetty, TC Bidone, AL Ferguson
Biophysical Journal 123 (17), 2716-2729, 2024
52024
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
42022
PLUMED tutorials: A collaborative, community-driven learning ecosystem
GA Tribello, M Bonomi, G Bussi, C Camilloni, BI Armstrong, A Arsiccio, ...
arXiv preprint arXiv:2412.03595, 2024
32024
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
32023
Data-driven equation-free dynamics applied to many-protein complexes: The microtubule tip relaxation
J Wu, S Dasetty, D Beckett, Y Wang, W Xue, T Skóra, TC Bidone, ...
Biophysical Journal, 2025
12025
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
12023
Understanding molecular interactions between proteins and carbon nanomaterials
SK Dasetty
Clemson University, 2015
12015
Reversible ppt-Level Detection of Perfluorooctane Sulfonic Acid in Tap Water using Field-Effect Transistor Sensors
Y Wang, HJ Jang, M Topel, S Dasetty, Y Liu, M Ateia, A Tam, V Rozyyev, ...
2024
Resolution of the Minimum Free Energy Pathway of Integrin Activation Using Generative Modeling and Finite Temperature String Method
S Dasetty, R Coffman, TC Bidone, A Ferguson
2024 AIChE Annual Meeting, 2024
2024
Permutationally Invariant Network for Enhanced Sampling (PINES): A General Approach to Treating Identical Particles and Constructing Targeted CVs with Machine Learning
N Herringer, S Dasetty, D Gandhi, J Lee, A Ferguson
2024 AIChE Annual Meeting, 2024
2024
Empowering Molecular Simulations with Machine Learning to Understand and Engineer Molecular Systems
S Dasetty
2023 AIChE Annual Meeting, 2023
2023
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