Computational models to predict blood-brain barrier permeation and CNS activity. - Govindan Subramanian; Douglas B. Kitchen (J. Comput. Aided Mol. Des., 2003)

Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1. - Supriyo Bhattacharya; Govindan Subramanian; Spencer Hall; Jianping Lin; Abdelazize Laoui; Nagarajan Vaidehi (J. Comput. Aided Mol. Des., 2010)

Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches. - Govindan Subramanian; Bharath Ramsundar; Vijay S. Pande; Rajiah Aldrin Denny (J. Chem. Inf. Model., 2016)

Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside. - Govindan Subramanian; Kanika Manchanda; Yirong Mo; Rohit Y. Sathe; Prasad V. Bharatam (J. Comput. Chem., 2024)