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)

Molecular property diagnostic suite for diabetes mellitus (MPDSDM): An integrated web portal for drug discovery and drug repurposing. - Anamika Singh Gaur; Selvaraman Nagamani; Karunakar Tanneeru; Dmitry S. Druzhilovskiy; Anastassia V. Rudik; Vladimir Poroikov; G. Narahari Sastry (J. Biomed. Informatics, 2018)

Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing. - Sita Sirisha Madugula; Lijo John; Selvaraman Nagamani; Anamika Singh Gaur; Vladimir Poroikov; G. Narahari Sastry (Comput. Biol. Medicine, 2021)

Integrating (deep) machine learning and cheminformatics for predicting human intestinal absorption of small molecules. - Orchid Baruah; Upashya Parasar; Anirban Borphukan; Bikram Phukan; Pankaj Bharali; Selvaraman Nagamani; Hridoy Jyoti Mahanta (Comput. Biol. Chem., 2024)