Origins and predictions of stereoselective antibody catalysis: Theoretical analysis of Diels-Alder catalysis by 39A11 and its germ-line antibody

Journal of Organic Chemistry

Volumn 67, Issue 25, 2002, Pages 9043-9053

  Zhang, Xiyun ^a   Deng, Qiaolin ^a   Yoo, Sandy H ^a   Houk, K N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

QUANTUM MECHANICAL MODELS;

ANTIGENS; CATALYSIS; COMPUTER SIMULATION; HYDROGEN BONDS; ISOMERS; PROBABILITY DENSITY FUNCTION;

ANTIBODIES;

ANTIBODY; ANTIGEN; HAPTEN; PROGESTERONE; CATALYTIC ANTIBODY; IMMUNOGLOBULIN F(AB) FRAGMENT;

ARTICLE; BINDING SITE; CATALYSIS; CHEMICAL BINDING; DIELS ALDER REACTION; ENANTIOMER; GERM LINE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR INTERACTION; QUANTUM MECHANICS; SIMULATION; STEREOCHEMISTRY; STEREOISOMERISM; AMINO ACID SEQUENCE; ANTIBODY AFFINITY; ANTIBODY COMBINING SITE; ANTIBODY SPECIFICITY; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CYCLIZATION; GENETICS; GERM CELL; IMMUNOLOGY; METABOLISM; MOLECULAR GENETICS; PHYSIOLOGY; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION; THEORETICAL MODEL; X RAY CRYSTALLOGRAPHY;

AMINO ACID SEQUENCE; ANTIBODIES, CATALYTIC; ANTIBODY AFFINITY; ANTIBODY SPECIFICITY; BINDING SITES, ANTIBODY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; CYCLIZATION; GERM CELLS; HAPTENS; HYDROGEN BONDING; IMMUNOGLOBULIN FAB FRAGMENTS; MODELS, THEORETICAL; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0037073829     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0203894     Document Type: Article

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