Pradipta Bandyopadhyay
9PUBLICATIONS
7CO-AUTHORS
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Publications (9)
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|Dec 02, 2025
Hydration-Free Energies for Small Molecules With Physics-Based Descriptors: Graph Neural Network With Cross-Attention.Anuj Kumar Sirohi, Ajeet Kumar Yadav, Pradipta Bandyopadhyay
|Jan 22, 2025
Physics-Based Machine Learning to Predict Hydration Free Energies for Small Molecules with a Minimal Number of Descriptors: Interpretable and Accurate.Ajeet Kumar Yadav, Marvin V Prakash, Pradipta Bandyopadhyay
|Sep 11, 2024
Prediction of Ca2+ Binding Site in Proteins With a Fast and Accurate Method Based on Statistical Mechanics and Analysis of Crystal Structures.Abdul Basit, Devapriya Choudhury, Pradipta Bandyopadhyay
|Mar 08, 2023
Correlation between protein conformations and water structure and thermodynamics at high pressure: A molecular dynamics study of the Bovine Pancreatic Trypsin Inhibitor (BPTI) protein.Umesh C Roy, Pradipta Bandyopadhyay
|Aug 04, 2022
Crustwater: Modeling Hydrophobic Solvation.Ajeet Kumar Yadav, Pradipta Bandyopadhyay, Evangelos A Coutsias
|Jul 26, 2022
A strategy to optimize the peptide-based inhibitors against different mutants of the spike protein of SARS-CoV-2.Prerna Priya, Abdul Basit, Pradipta Bandyopadhyay
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