High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning. - Oliver T. Unke; Debasish Koner; Sarbani Patra; Silvan Käser; Markus Meuwly (Mach. Learn. Sci. Technol., 2020)

Machine Learning Product State Distributions from Initial Reactant States for a Reactive Atom-Diatom Collision System. - Julian Arnold; Juan Carlos San Vicente Veliz; Debasish Koner; Narendra Singh; Raymond J. Bemish; Markus Meuwly (CoRR, 2021)

The Bigger the Better? Accurate Molecular Potential Energy Surfaces from Minimalist Neural Networks. - Silvan Käser; Debasish Koner; Markus Meuwly (CoRR, 2024)

DeePNAP: A Deep Learning Method to Predict Protein-Nucleic Acid Binding Affinity from Their Sequences. - Uddeshya Pandey; Sasi M. Behara; Siddhant Sharma; Rachit S. Patil; Souparnika Nambiar; Debasish Koner; Hussain Bhukya (J. Chem. Inf. Model., 2024)