Protein structure determination via an efficient geometric build-up algorithm.

ABSTRACT:

Background

A protein structure can be determined by solving a so-called distance geometry problem whenever a set of inter-atomic distances is available and sufficient. However, the problem is intractable in general and has proved to be a NP hard problem. An updated geometric build-up algorithm (UGB) has been developed recently that controls numerical errors and is efficient in protein structure determination for cases where only sparse exact distance data is available. In this paper, the UGB method has been improved and revised with aims at solving distance geometry problems more efficiently and effectively.

Methods

An efficient algorithm (called the revised updated geometric build-up algorithm (RUGB)) to build up a protein structure from atomic distance data is presented an

SUBMITTER: Davis RT 

PROVIDER: S-EPMC2873830 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature