Title :
A simulated annealing approach for probing biomolecular structures
Author :
Bouzida, D. ; Kumar, S. ; Swendsen, R.H.
Author_Institution :
Dept. of Phys., Carnegie-Mellon Univ., Pittsburgh, PA, USA
Abstract :
New Monte Carlo methods for finding global energy minima for biological molecules using simulated annealing are presented. The new methods are designed to compensate for the inhomogeneity and local anisotropy of biological molecules. A wide variety of Monte Carlo moves have been implemented, and full optimization of every move individually maintained. Using these new simulated annealing methods, the authors have investigated the low-energy configurations of a commonly-used model of small biological molecules.
Keywords :
Monte Carlo methods; molecular biophysics; organic molecule configurations; potential energy functions; probes; simulated annealing; Monte Carlo methods; biological molecules; biomolecular structure probing; global energy minima; inhomogeneity; local anisotropy; low-energy configurations; optimization; simulated annealing; Anisotropic magnetoresistance; Biological system modeling; Biology; Computational modeling; Design methodology; Monte Carlo methods; Predictive models; Proteins; Sequences; Simulated annealing; Stochastic processes;
Conference_Titel :
System Sciences, 1993, Proceeding of the Twenty-Sixth Hawaii International Conference on
Print_ISBN :
0-8186-3230-5
DOI :
10.1109/HICSS.1993.270667
