title: Molecular Simulation of avb6 Integrin Inhibitors
author: Guest, Ellen E.
description: Molecular dynamics trajectories for the simulation of an RGD mimetic, with a variety of aryl substituents, bound to avb6. DCD and PSF files are provided for five replicas of 10 ns simulation for each ligand derivative. Trajectories for simulations of the pro-domain of TGF-B1 in complex with avb6 are also provided. 