Realistic Protein Folding with Next Generation Methodology and Supercomputer

Protein folding is the hot and focus research field in computational biology and HPC. The major factors affect protein folding are interaction energy function, conformational sampling and computer resource. We will address these three factors in our new approach. By combining accurate interaction energy function, which is called MFCC, and the smart sampling technique, named Replica Exchange MD, with supercomputer, we can simulate the folding process of larger size proteins comparing with previous studies. We will implement the newest sampling technique with our technology to make protein folding more realistic