Reverse-docking as a computational tool for the study of asymmetric organocatalysis

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 5, 2004, Pages 303-308

  Harriman, D Joseph ^a   Deslongchamps, Ghislain ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

Asymmetric synthesis; AutoDock; Azidation; Catalysis; Docking; MOE; Molecular mechanics; Organocatalyst; Scoring

Indexed keywords

CATALYSIS; ENANTIOMERS; ENANTIOSELECTIVITY; MOLECULAR MECHANICS; STRUCTURAL ANALYSIS;

ASYMMETRIC SYNTHESIS; AUTODOCK; AZIDATION; COMPUTATIONAL TOOLS; DOCKING; ENANTIOSELECTIVE CATALYSIS; MOE; ORGANOCATALYSTS; SCORING; TRANSITION STATE MODELING;

ORGANOCATALYST;

AZIDE; CARBONYL DERIVATIVE; ENZYME; LIGAND; PEPTIDE;

ARTICLE; ASYMMETRIC CATALYSIS; ASYMMETRIC SYNTHESIS; CATALYST; CLUSTER ANALYSIS; ENANTIOMER; ENANTIOSELECTIVITY; ENERGY TRANSFER; GENETIC ALGORITHM; MATHEMATICAL COMPUTING; METHODOLOGY; MOLECULAR MECHANICS; PRIORITY JOURNAL; SCORING SYSTEM; STRUCTURE ANALYSIS; BIOLOGY; CATALYSIS; CHEMICAL STRUCTURE; METABOLISM; PHYSIOLOGY;

AZIDES; CATALYSIS; COMPUTATIONAL BIOLOGY; ENZYMES; LIGANDS; MODELS, MOLECULAR; PEPTIDES;

EID: 16644392819     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1023/B:JCAM.0000047813.47656.36     Document Type: Article

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