Molecular Modeling and Simulation of the Peptidoglycan Layer of Gram-Positive Bacteria Staphylococcus aureus. - Rudramani Pokhrel; Rojesh Shakya; Prabin Baral; Prem Chapagain (J. Chem. Inf. Model., 2022)

Evaluating protein binding interfaces with transformer networks. - Vitalii Stebliankin; Azam Shirali; Prabin Baral; Jimeng Shi; Prem Chapagain; Kalai Mathee; Giri Narasimhan (Nat. Mac. Intell., 2023)