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Jayashrita Debnath
Jayashrita Debnath
Postdoctoral researcher, Max Planck Institute of Biophysics
Verified email at biophys.mpg.de
Title
Cited by
Cited by
Year
Gaussian mixture-based enhanced sampling for statics and dynamics
J Debnath, M Parrinello
The Journal of Physical Chemistry Letters 11 (13), 5076-5080, 2020
402020
Gaussian Mixture Based Enhanced Sampling
J Debnath, M Parrinello
arXiv, arXiv: 1909.07773, 2019
40*2019
Enhanced sampling and free energy calculations with hybrid functionals and plane waves for chemical reactions
S Mandal, J Debnath, B Meyer, NN Nair
The Journal of chemical physics 149 (14), 144113, 2018
252018
Enhanced sampling of transition states
J Debnath, M Invernizzi, M Parrinello
Journal of chemical theory and computation 15 (4), 2454-2459, 2019
242019
Computing Rates and Understanding Unbinding Mechanisms in Host–Guest Systems
J Debnath, M Parrinello
Journal of Chemical Theory and Computation 18 (3), 1314-1319, 2022
52022
Kinetics of drug release from clay using enhanced sampling methods
A Borrego-Sánchez, J Debnath, M Parrinello
Pharmaceutics 14 (12), 2586, 2022
22022
Rare Event Dynamics
J Debnath
ETH Zurich, 2022
2022
Rare Event Rates From Probability Distributions
J Debnath, M Parrinello
Bulletin of the American Physical Society, 2021
2021
Computational modeling of praziquantel drug release from montmorillonite clay using enhanced sampling method
AB Sánchez, J Debnath, M Parrinello
RESCIFAR Revista Española de Ciencias Farmacéuticas 2 (2), 44-45, 2021
2021
A database-based approach for predicting coupled cascade reaction kinetics in polymers: application to oxidative degradation kinetics of high-performance polymers
J Debnath, S Kunnikuruvan, N Sinha, PV Parandekar, O Prakash, ...
Molecular Simulation 44 (7), 582-589, 2018
2018
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