Curr Opin Struct Biol. 2002 Aug;12(4):431-40.

Rotamer libraries in the 21st century.

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Institute for Cancer Research, Fox Chase Cancer Center, 7701 Burholme Avenue, Philadelphia PA 19111, USA. RL_Dunbrack@fccc.edu

Abstract

Rotamer libraries are widely used in protein structure prediction, protein design, and structure refinement. As the size of the structure data base has increased rapidly in recent years, it has become possible to derive well-refined rotamer libraries using strict criteria for data inclusion and for studying dependence of rotamer populations and dihedral angles on local structural features.

PMID:: 12163064; [PubMed - indexed for MEDLINE]

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