Mechanistic Insights into Adaptive Binding of Vitamins and Hormones at Hotspot-Enriched Interfaces of the Synaptotagmin 1 C2AB Domain
Suvojit Hazra, Basant Kumar Tiwary, Alok Ghosh Chaudhuri, N.B. Chakrabarti
This study investigates the adaptive binding of seven molecules to the Synaptotagmin 1 C2AB domain using molecular docking and simulations, revealing that desolvation and structural flexibility, not just binding energy, govern ligand interactions.