In-silico Screening using Flexible Ligand Binding Pockets: A Molecular Dynamics-based Approach. - Dakshanamurthy Sivanesan; Rajendram V. Rajnarayanan; Jason Doherty; Nagarajan Pattabiraman (J. Comput. Aided Mol. Des., 2005)

Accelerating virtual high-throughput ligand docking: current technology and case study on a petascale supercomputer. - Sally R. Ellingson; Dakshanamurthy Sivanesan; Milton Brown; Jeremy C. Smith; Jérôme Baudry (Concurr. Comput. Pract. Exp., 2014)

DrugGenEx-Net: a novel computational platform for systems pharmacology and gene expression-based drug repurposing. - Naiem T. Issa; Jordan Kruger; Henri Wathieu; Rajarajan Raja; Stephen W. Byers; Dakshanamurthy Sivanesan (BMC Bioinform., 2016)

Predicting Chemical Carcinogens Using a Hybrid Neural Network Deep Learning Method. - Sarita Limbu; Dakshanamurthy Sivanesan (Sensors, 2022)