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)