Binding mode analysis of anti-influenza drugs in H1N1 (2009) and H5N1 influenza A virus and designing of potential H1N1 inhibitors. - Kh. Dhanachandra Singh; Palani Kirubakaran; Selvaraman Nagamani; Karthikeyan Muthusamy (Int. J. Comput. Biol. Drug Des., 2015)

Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta. - Nan Bai; Sven A. Miller; Grigorii V. Andrianov; Max Yates; Palani Kirubakaran; John Karanicolas (J. Chem. Inf. Model., 2021)

MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics. - Alexander C. Brueckner; Benjamin Shields; Palani Kirubakaran; Alexander Suponya; Manoranjan Panda; Shana L. Posy; Stephen R. Johnson; Sirish Kaushik Lakkaraju (J. Comput. Aided Mol. Des., 2024)