A deterministic algorithm for constrained enumeration of transmembrane protein folds.
Conference
·
OSTI ID:959090
- Sandia National Laboratories, Livermore, California
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.
- Research Organization:
- Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 959090
- Report Number(s):
- SAND2004-3702C; TRN: US201001%%152
- Resource Relation:
- Conference: Proposed for presentation at the Pacific Symposium on Biocomputing held January 4-8, 2005 in Fairmont Orchid, HI.
- Country of Publication:
- United States
- Language:
- English
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