Computational strategies for the design of new enzymatic functions

Archives of Biochemistry and Biophysics

Volumn 582, Issue , 2015, Pages 68-79

  ͆widerek, K ^a,b   Tunon I ^a   Moliner, V ^c   Bertran, J ^d  

^a UNIVERSITY OF VALENCIA   (Spain)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

^c UNIVERSITAT JAUME I   (Spain)

^d UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

De novo design; Diels Alder; Kemp elimination; Molecular dynamics; Protein design; QM MM; Retro Aldolase

Indexed keywords

CATALYTIC ANTIBODY; ENZYME; METALLOPROTEIN;

ARTICLE; BIOCATALYST; CHEMICAL REACTION; DIELS ALDER REACTION; ELIMINATION REACTION; ENZYME ACTIVITY; ENZYME MECHANISM; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; QUANTUM MECHANICS; RETRO ALDOL REACTION; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; METABOLISM;

COMPUTER-AIDED DESIGN; DRUG DESIGN; ENZYMES; METALLOPROTEINS; MOLECULAR DYNAMICS SIMULATION;

EID: 84940722324     PISSN: 00039861     EISSN: 10960384     Source Type: Journal    
DOI: 10.1016/j.abb.2015.03.013     Document Type: Review

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