Density functional theory study of β-hairpins in antiparallel β-sheets, a new classification based upon H-bond topology

Biochemistry

Volumn 51, Issue 27, 2012, Pages 5387-5393

  Roy, Dipankar ^a   Pohl, Gabor ^a   Ali Torres, Jorge ^a   Marianski, Mateusz ^a   Dannenberg, J J ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSIFICATION RESULTS; DIASTEREOMERS; ENERGETIC DIFFERENCES; H-BONDS; LOW LEVEL; MODEL SYSTEM; SEMI-EMPIRICAL CALCULATION; STABLE STRUCTURES;

AMINO ACIDS; CHEMICAL BONDS; TOPOLOGY;

DENSITY FUNCTIONAL THEORY;

ALANINE; POLYPEPTIDE;

ARTICLE; BETA HAIRPIN; BETA SHEET; CHIRALITY; CLASSIFICATION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DIASTEREOISOMER; ENTHALPY; HYDROGEN BOND; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE;

HYDROGEN BONDING; MODELS, MOLECULAR; OLIGOPEPTIDES; PROTEIN STRUCTURE, SECONDARY; QUANTUM THEORY; THERMODYNAMICS;

EID: 84863771587     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi3006785     Document Type: Article

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