Ligand-Binding Mechanisms

Navjeet Ahalawat, Jagannath Mondal , and  Pramodh Vallurupalli

The process of Ligand-binding to solvent inaccessible cavities in receptor proteins has been rather elusive. A study, led by Dr. Jagannath Mondal and Dr. Pramodh Vallurupalli, tried to gain mechanistic insight into the different pathways by which benzene, a ligand, can find its way into a deep-seated cavity in the mutant form of the T4 Lysozyme, a protein receptor, at an atomistic level.