Interplay between Conformational Heterogeneity and Hydration in the Folding Landscape of a Designed Three-Helix Bundle
- Gregory S. Custer
- Payel Das
- et al.
- 2017
- Journal of Physical Chemistry B
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74 results for Payel Das
Alzheimer’s Protective Cross-Interaction between Wild-Type and A2T Variants Alters Aβ42 Dimer Structure
- Payel Das
- Anita R. Chacko
- et al.
- 2016
- ACS Chemical Neuroscience
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units
- Hatem Helal
- Jesun Firoz
- et al.
- 2024
- J. Chem. Inf. Model.
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
- Jack Scantlebury
- Lucy Vost
- et al.
- 2023
- J. Chem. Inf. Model.
Explaining Artificial Intelligence Generation and Creativity: Human interpretability for novel ideas and artifacts
- Payel Das
- Lav R. Varshney
- 2022
- IEEE SPM
Active Sampling of Multiple Sources for Sequential Estimation
- Arpan Mukherjee
- Ali Tajer
- et al.
- 2021
- IEEE TSP
Machine learning models in the prediction of drug metabolism: challenges and future perspectives
- Eleni E. Litsa
- Payel Das
- et al.
- 2021
- Expert Opinion on Drug Metabolism and Toxicology
Nanoscale Interplay of Membrane Composition and Amyloid Self-Assembly
- Sneha Menon
- Neelanjana Sengupta
- et al.
- 2020
- Journal of Physical Chemistry B
How Hydrophobic Hydration Destabilizes Surfactant Micelles at Low Temperature: A Coarse-Grained Simulation Study
- Gregory S. Custer
- Hongcheng Xu
- et al.
- 2018
- Langmuir
Femtosecond Hydration Map of Intrinsically Disordered α-Synuclein
- Shruti Arya
- Avinash K. Singh
- et al.
- 2018
- Biophysical Journal