Consensus Superiority of the Pharmacophore-Based Alignment, Over Maximum Common Substructure (MCS): 3D-QSAR Studies on Carbamates as Acetylcholinesterase Inhibitors. - Shailendra S. Chaudhaery; Kuldeep K. Roy; Anil K. Saxena (J. Chem. Inf. Model., 2009)

Profiling the Structural Determinants for the Selectivity of Representative Factor-Xa and Thrombin Inhibitors Using Combined Ligand-Based and Structure-Based Approaches. - Shome S. Bhunia; Kuldeep K. Roy; Anil K. Saxena (J. Chem. Inf. Model., 2011)

Structural Basis for the β-Adrenergic Receptor Subtype Selectivity of the Representative Agonists and Antagonists. - Kuldeep K. Roy; Anil K. Saxena (J. Chem. Inf. Model., 2011)

Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides. - Mushtaq Ahmad Wani; Prabha Garg; Kuldeep K. Roy (Medical Biol. Eng. Comput., 2021)