TransAtlas:

TransAtlas is a comprehensive database of protein conformational transitions containing 64646 independent transitions obtained from the analysis of 750K conformational transitions (more than 7.5 M intermediate structures) covering the entire proteome.

TransAtlas is computed using GOdMD, a new method for determining pathways for conformational transitions in macromolecules based on the use of discrete molecular dynamics (DMD) and biasing techniques based on a combination of essential dynamics and Maxwell-Demon sampling techniques.

The Molecular Modeling and Bioinformatics (MMB) research group is part of the Joint BSC-CRG-IRB program in Computational Biology. Our long-term objective is to understand the behavior of living organisms from the basic rules of physics, in other words, to represent life by means of theoretical calculations.