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Title: A deterministic algorithm for constrained enumeration of transmembrane protein folds.

A deterministic algorithm for enumeration of transmembrane protein folds is presented. Using a set of sparse pairwise atomic distance constraints (such as those obtained from chemical cross-linking, FRET, or dipolar EPR experiments), the algorithm performs an exhaustive search of secondary structure element packing conformations distributed throughout the entire conformational space. The end result is a set of distinct protein conformations, which can be scored and refined as part of a process designed for computational elucidation of transmembrane protein structures.
Authors:
;  [1] ;  [1] ; ;  [1]
  1. (Sandia National Laboratories, Livermore, California)
Publication Date:
OSTI Identifier:
959090
Report Number(s):
SAND2004-3702C
TRN: US201001%%152
DOE Contract Number:
AC04-94AL85000
Resource Type:
Conference
Resource Relation:
Conference: Proposed for presentation at the Pacific Symposium on Biocomputing held January 4-8, 2005 in Fairmont Orchid, HI.
Research Org:
Sandia National Laboratories
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; ALGORITHMS; PROTEIN STRUCTURE; PROTEINS