Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme. - Jagannath Mondal; Navjeet Ahalawat; Subhendu Pandit; Lewis E. Kay; Pramodh Vallurupalli (PLoS Comput. Biol., 2018)

On identifying collective displacements in apo-proteins that reveal eventual binding pathways. - Dheeraj Dube; Navjeet Ahalawat; Himanshu Khandelia; Jagannath Mondal; Surajit Sengupta (PLoS Comput. Biol., 2019)