Global Optimization by Conformational Space Annealing and its Applicat…

One of the fundamental goals of modern sciences is to understand the nature of life, and deciphering the protein structure and its working mechanism lies at the very heart of this agenda. Due to the tremendous success of many genome projects, the number of available protein sequences reached over 5.3 million as of 2007, but less than 1% of these protein structures are known. Reliable and accurate protein structure prediction using only the sequence information is greatly in demand, but it remains as an unsolved problem even after many years of efforts. We intend to establish a successful protein modeling method that is solely based on direct application of principles excluding human interference in modeling steps. This should be contrasted to the common conception in the field that human expertise accumulated by many years of protein modeling is the most important asset for accurate protein structure prediction. In this talk we will discuss recent progresses of our efforts in protein structure prediction. It appears that our newly proposed method, which is based on the direct and rigorous optimization of relevant score functions, can provide significant improvement for 3D modeling of proteins in the category of High-Accuracy Template-Based Modeling. Applications of highly accurate proteins 3D models to various biological systems will be discussed.