BRIDGE Publication 2019

Biomolecular Reaction and Interaction Dynamics Global Environment (BRIDGE)  has been published in Bioinformatics. The paper presents the foundations of BRIDGE developed on the Galaxy platform that makes possible fundamental molecular dynamics of proteins through workflows and pipelines via commonly used packages such as NAMD, GROMACS and CHARMM. BRIDGE can be used to set up and simulate biological macromolecules, perform conformational analysis from trajectory data and conduct data analytics of large scale protein motions using statistical rigor. We illustrate the basic BRIDGE simulation and analytics capabilities on a previously reported CBH1 protein simulation.

Available at https://github.com/scientificomputing/BRIDGE & https://cheminformatics.usegalaxy.eu