Sampling realistic protein conformations using local structural bias.

ABSTRACT: The prediction of protein structure from sequence remains a major unsolved problem in biology. The most successful protein structure prediction methods make use of a divide-and-conquer strategy to attack the problem: a conformational sampling method generates plausible candidate structures, which are subsequently accepted or rejected using an energy function. Conceptually, this often corresponds to separating local structural bias from the long-range interactions that stabilize the compact, native state. However, sampling protein conformations that are compatible with the local structural bias encoded in a given protein sequence is a long-standing open problem, especially in continuous space. We describe an elegant and mathematically rigorous method to do this, and show that it readily gen

SUBMITTER: Hamelryck T 

PROVIDER: S-EPMC1570370 | biostudies-literature | 2006 Sep

REPOSITORIES: biostudies-literature