How Fast-Folding Proteins Fold

• DOI: 10.1126/science.1208351
• Publication Date: 2011-10-27T18:57:18Z
• Authors: Kresten Lindorff-...; Stefano Piana; Ron O. Dror; David E. Shaw
• Keywords: Folding (DSP implementation); Contact order

An outstanding challenge in the field of molecular biology has been to understand process by which proteins fold into their characteristic three-dimensional structures. Here, we report results atomic-level dynamics simulations, over periods ranging between 100 μs and 1 ms, that reveal a set common principles underlying folding 12 structurally diverse proteins. In simulations conducted with single physics-based energy function, proteins, representing all three major structural classes, spontaneously repeatedly experimentally determined native Early process, protein backbone adopts nativelike topology while certain secondary structure elements small number nonlocal contacts form. most cases, follows dominant route appear an order highly correlated propensity form unfolded state.