Development of a rotamer library for use in β-peptide foldamer computational design

Journal of the American Chemical Society

Volumn 132, Issue 21, 2010, Pages 7312-7320

  Shandler, Scott J ^a   Shapovalov, Maxim V ^b   Dunbrack Jr , Roland L ^b   Degrado, William F ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b FOX CHASE CANCER CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN; BOLTZMANN TEMPERATURE; COMPUTATIONAL DESIGN; DIELECTRIC CONSTANTS; EXPERIMENTAL DATA; FOLDAMERS; HIGH ENERGY; PARAMETRIZATIONS; PROTEIN DESIGN; RANDOM VALUES; ROTAMERS; SECONDARY STRUCTURES; STRAND CONFORMATION; STRUCTURAL DATA; VAN DER WAALS RADIUS; WEIGHTED PROBABILITY;

AMINO ACIDS; AMPHIPHILES; COMPUTATIONAL COMPLEXITY; DESIGN; LIBRARIES; MOLECULAR MECHANICS; ORGANIC ACIDS; PEPTIDES; STRUCTURES (BUILT OBJECTS); VAN DER WAALS FORCES;

PROBABILITY DISTRIBUTIONS;

BETA AMINO ACID; PEPTIDE;

ALPHA HELIX; ARTICLE; BETA SHEET; CRYSTAL STRUCTURE; ENERGY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; PROTEIN SECONDARY STRUCTURE; TEMPERATURE;

AMINO ACIDS; CRYSTALLOGRAPHY; MODELS, CHEMICAL; PEPTIDE LIBRARY; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PROTEINS;

EID: 77952837884     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja906700x     Document Type: Article

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