A fast empirical GAFF compatible partial atomic charge assignment scheme for modeling interactions of small molecules with biomolecular targets. - Goutam Mukherjee; Niladri Patra; Poranjyoti Barua; Bhyravabhotla Jayaram (J. Comput. Chem., 2011)

Sanjeevini: a freely accessible web-server for target directed lead molecule discovery. - Bhyravabhotla Jayaram; Tanya Singh; Goutam Mukherjee; Abhinav Mathur; Shashank Shekhar; Vandana Shekhar (BMC Bioinform., 2012)

Bhageerath-H: A homology/ab initio hybrid server for predicting tertiary structures of monomeric soluble proteins. - Bhyravabhotla Jayaram; Priyanka Dhingra; Avinash Mishra; Rahul Kaushik; Goutam Mukherjee; Ankita Singh; Shashank Shekhar (BMC Bioinform., 2014)

Quantifying Functional-Group-like Structural Fragments in Molecules and Its Applications in Drug Design. - Goutam Mukherjee; Abdennour Braka; Sangwook Wu (J. Chem. Inf. Model., 2023)