Integrated system for modeling and data analysis of complex biomolecules (ISyMAB)

ISyMAB aims at providing an efficient tool for data analysis in the framework of the simulation and modeling of large biomolecular systems by means of parallel molecular dynamics (MD) codes designed for high-performance computing (HPC). The main focus is in the modeling of the G Protein-Coupled Receptors, which are found in a wide range of species, and are involved in signaling from the outside to the inside of the cells. Generally, large biomolecule simulations with NAMD involve many steps which are not always easy and/or within the reach of the researchers. This application provides an integrated solution that will help them solve these problems instantly.