ORAL PRESENTATION Open Access Analysis and visual summarization of molecular dynamics simulation

Molecular dynamics (MD) simulation, a standard tech-nique used to study the dynamical properties of biomo-lecules, is very useful in collecting the trajectories, a series of snapshots – the coordinates of the system- of larger systems for longer simulation times. These MD generated trajectories are huge in size (many gigabytes) and the data analysis may take much longer time than the data generation. Managing the large amount of data and presenting them in a flexible and comprehensible manner are the major challenges. Analyzing these trajec-tories with standard parameter like root-mean square deviation (RMSD) may not reveal the most interesting properties of the dynamics. To overcome these challenges, Ca torsion angles [1]-torsion angles build by four consecutive Ca atoms- ar