Uncovering human kinase substrates in nipah proteome. - Vineetha Shaji; Akash Anil; Ayisha A. Jabbar; Althaf Mahin; Ahmad Rafi; Amjesh Revikumar; Sowmya Soman; Ganesh Prasad; Sneha M. Pinto; Yashwanth Subbannayya; Abhithaj Jayanandan; Rajesh Raju (Frontiers Bioinform., 2025)

AI-driven transfer learning and classical molecular dynamics for strategic therapeutic repurposing and rational design of antiviral peptides targeting monkeypox virus DNA polymerase. - Leona Dcunha; Sonet Daniel Thomas; Levin John; Amritha Thaikkad; Dileep Francis; Rajesh Raju; Nik Hirani; Abhithaj Jayanandan (Comput. Biol. Medicine, 2026)

Targeting KasA: isosakuranetin derivatives as promising scaffolds for novel anti-tuberculosis agents against drug-resistant Mycobacterium tuberculosis. - B. Angitha; Amritha Thaikkad; Radul R. Dev; Rajesh Raju; C. V. Umesh; Abhithaj Jayanandan (Frontiers Bioinform., 2026)

Machine learning-based QSAR and molecular modeling of phytocompounds in Barleria buxifolia L. as a potential aldose reductase inhibitor. - Rahul Dev; Anjana C. Lalu; Sinana Zarin; Bristow Ben Joseph; Rajesh Raju; Abhithaj Jayanandan; Sangeeth Thekkan (Frontiers Bioinform., 2026)