Conformation Driven Enhancement of Neurolysin Activity in Presence of a Small Molecule Activator
Samik Bose, Asmaa Aly, Vardan T. Karamyan, Benjamin J. Orlando, Alex Dickson
This study identifies three binding sites of a small molecule activator on Neurolysin using MD simulations and Markov state modeling, revealing how these sites modulate conformational dynamics and catalytic activity.
bioRxiv · Jan 6, 2026 · PreprintBiophysics