Workshop Conference: An alternative tool for fast computation of molecular transitions


 

As part of the IV International Workshop on Computational Mathematics and Bioinformatics, we have the conference presentation titled:  An alternative tool for fast computation of molecular transitions, by  Dr. Monica Zoppè from The Biophysics Institute (Ibf) of the Italian National Research Council (Cnr) Milan, Italy.

 

Abstract:

All life forms are based on the movement of complex molecules: Proteins, RNA, DNA and other components. The study of these motions is only possible thanks to computational techniques that, on the basis of chemical and physical principles, can calculate the trajectory of all atoms of a molecule, and provide pathways that transit the molecule from one conformation to another.

The techniques in use for simulation are often extremely complex, and demand major effort in terms of computational time and power. We have developed a method for the elaboration of transition pathways among different conformations of proteins, based on tools derived from the gaming and computer graphics programs, adapted for this specific use.

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