Nikolay Docholyan (Department of Biochemistry & Biophysics, University of North Carolina at Chapel Hill)

Bioinformatics Summer School: http://bioinf.me/summer

The life of biological molecules spans time and length scales ranging from those relevant at atomic to cellular time and length scales. Hence, the modern molecular modeling approaches are required to be inherently multiscale. Here we describe multiple approaches developed in our laboratory: rapid discrete molecular dynamics simulation algorithm, protein design and
structural refinement tools. Using our approaches, we will describe several of their applications to understanding the molecular etiology of cystic fibrosis and finding new pharmaceutical strategies to combat this disease, model 3D RNA structure, and design novel approaches for controlling proteins in living cells and organisms.