Antibody-catalyzed oxy-cope rearrangement: Mechanism and origins of catalysis and stereoselectivity from DFT quantum mechanics and flexible docking

Journal of the American Chemical Society

Volumn 126, Issue 31, 2004, Pages 9695-9708

  Black, Kersey A ^b   Leach, Andrew G ^a   Kalani, M Yashar S ^a   Houk, K N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b The Claremont Colleges   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; GASES; HYDROGEN BONDS; ISOTOPES; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

AXIAL ISOMERS; FLEXIBLE DOCKING; SOLVATION; STEREOSELECTIVITY;

QUANTUM THEORY;

ALCOHOL DERIVATIVE; ANTIBODY; CYCLOHEXANE; DEUTERIUM;

ARTICLE; BINDING KINETICS; CATALYSIS; CHEMICAL REACTION KINETICS; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; GERM LINE; HYDROGEN BOND; PHASE TRANSITION; QUANTUM MECHANICS; REACTION ANALYSIS; SOLVATION; STEREOCHEMISTRY; STRUCTURE ANALYSIS;

ALCOHOLS; ALKENES; ANTIBODIES, CATALYTIC; BENZENE DERIVATIVES; CATALYSIS; HAPTENS; HYDROGEN BONDING; KINETICS; MODELS, MOLECULAR; QUANTUM THEORY; STEREOISOMERISM; THERMODYNAMICS;

EID: 3543139585     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja048604g     Document Type: Article

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