A Review on Parallel Virtual Screening Softwares for High Performance Computers. - Natarajan Arul Murugan; Artur Podobas; Davide Gadioli; Emanuele Vitali; Gianluca Palermo; Stefano Markidis (CoRR, 2021)

Breaking Down the Parallel Performance of GROMACS, a High-Performance Molecular Dynamics Software. - Måns I. Andersson; Natarajan Arul Murugan; Artur Podobas; Stefano Markidis (PPAM (1), 2022)

deepGraphh: AI-driven web service for graph-based quantitative structure-activity relationship analysis. - Vishakha Gautam; Rahul Gupta; Deepti Gupta; Anubhav Ruhela; Aayushi Mittal; Sanjay Kumar Mohanty; Sakshi Arora; Ria Gupta; Chandan Saini; Debarka Sengupta; Natarajan Arul Murugan; Gaurav Ahuja (Briefings Bioinform., 2022)

Invited Paper: Application of Physics-Based and Data-Driven Approaches for Drug-Like Property Prediction. - Natarajan Arul Murugan; Garikapati Narahari Sastry (ICDCIT, 2025)