Tryptophan side chain electrostatic interactions determine edge-to-face vs parallel-displaced tryptophan side chain geometries in the designed β-hairpin "trpzip2"

Journal of the American Chemical Society

Volumn 127, Issue 13, 2005, Pages 4668-4674

  Guvench, Olgun ^a   Brooks III, Charles L ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; COMPUTER SIMULATION; ELECTROSTATICS; FREE ENERGY; MOLECULAR STRUCTURE; VAN DER WAALS FORCES;

CONFORMATIONAL CHANGES; FREE ENERGY SIMULATIONS; INTERACTION GEOMETRIES; TRYPTOPHAN (TRP);

PROTEINS;

AROMATIC AMINO ACID; BENZENE; DIMER; LIGAND; TRYPTOPHAN; WATER;

ARTICLE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DIPOLE; ENERGY; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PROTEIN STRUCTURE; X RAY CRYSTALLOGRAPHY;

COMPUTER SIMULATION; ELECTROSTATICS; MODELS, MOLECULAR; PEPTIDES; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS; TRYPTOPHAN; WATER;

EID: 16844371842     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja043492e     Document Type: Article

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