1223 K
28 pp.
 
View Document 
  
TitleA Novel Method for Sampling Alpha-Helical Protein Backbones
Author(s)Fain, Boris; Levitt, Michael
Publication Date2001
Unique IdentifierACC0490
Other NumbersOSTI ID: 760875
Research OrgStanford University, Stanford, CA (US)
Sponsoring OrgU.S. Department of Energy (DOE); A. P. Sloan Foundation (US)
Other InformationJournal of Molecular Biology; 2001; 305 (2): 191-201
Subject59 Basic Biological Sciences; Atoms; Efficiency; Protein Structure; Proteins; Sampling
Related Web PagesMichael Levitt and Computational Chemistry
AbstractWe present a novel technique of sampling the configurations of helical proteins. Assuming knowledge of native secondary structure, we employ assembly rules gathered from a database of existing structures to enumerate the geometrically possible 3-D arrangements of the constituent helices. We produce a library of possible folds for 25 helical protein cores. In each case the method finds significant numbers of conformations close to the native structure. In addition we assign coordinates to all atoms for 4 of the 25 proteins. In the context of database driven exhaustive enumeration our method performs extremely well, yielding significant percentages of structures (0.02%--82%) within 6A of the native structure. The method's speed and efficiency make it a valuable contribution towards the goal of predicting protein structure.
1223 K
28 pp.
 
View Document 
  


Some links on this page may take you to non-federal websites. Their policies may differ from this site.