Voids and necks in liquid ammonia and their roles in diffusion of ions of varying size. - Debashree Chakraborty; Amalendu Chandra (J. Comput. Chem., 2012)

Computational insights into factor affecting the potency of diaryl sulfone analogs as Escherichia coli dihydropteroate synthase inhibitors. - Bratin Kumar Das; Sharfudheen Pv; Debashree Chakraborty (Comput. Biol. Chem., 2019)

Designing Reaction Coordinate for Ion-Induced Pore-Assisted Mechanism of Halide Ions Permeation through Lipid Bilayer by Umbrella Sampling. - Anjana V. Mathath; Bratin Kumar Das; Debashree Chakraborty (J. Chem. Inf. Model., 2023)

Enhancing Image Understanding: A Comparative Analysis of Encoder Architectures for Image Captioning. - Debashree Chakraborty; Aditi Singh; Santos Kumar Baliarsingh (ICCCNT, 2024)

Study of Correlated Motions to Detect the Conformational Transitions of the Intrinsically Disordered Sheep Prion Peptide. - Debashree Chakraborty; Omkar Singh; Divya Parameswaran (J. Chem. Inf. Model., 2024)