Title :
Protein structure prediction — An Ab initio approach
Author :
Srinivasan, Rajgopal ; Rose, George D.
Author_Institution :
Jenkins Department of Biophysics, Johns Hopkins University, 3400 N. Charles Street, Baltimore, MD 21218, U.S.A
Abstract :
We describe LINUS (Local Independently Nucleated Units of Structure), a computer program for simulating the protein folding process. At its core, LINUS is a Metropolis Monte Carlo procedure with a ‘smart’ move set for efficient exploration of conformational space and a simple energy function to rank conformations. It is shown that LINUS can successfully anticipate a large fraction of the native state secondary and super-secondary structure.
Keywords :
Atomic measurements; Biophysics; Coils; Computers; Electronic mail; Proteins; Space exploration; LINUS; protein folding; secondary structure;
Conference_Titel :
European Control Conference (ECC), 2003
Conference_Location :
Cambridge, UK
Print_ISBN :
978-3-9524173-7-9
