Computational biotechnology: Prediction of competitive substrate inhibition of enzymes by buffer compounds with protein-ligand docking

Journal of Biotechnology

Volumn 161, Issue 4, 2012, Pages 391-401

  Schomburg, Karen T ^a   Ardao, Inés ^b   Götz, Katharina ^b   Rieckenberg, Fabian ^b   Liese, Andreas ^b   Zeng, An Ping ^b   Rarey, Matthias ^a  

^a UNIVERSITY OF HAMBURG   (Germany)

^b HAMBURG UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Buffer solution; Computational biology; Enzymatic activity analysis; HYDE scoring function; Protein ligand docking; Synthetic pathway

Indexed keywords

BUFFER SOLUTIONS; COMPUTATIONAL BIOLOGY; ENZYMATIC ACTIVITIES; PROTEIN-LIGAND DOCKING; SCORING FUNCTIONS; SYNTHETIC PATHWAYS;

BIOINFORMATICS; DOCKING;

ENZYME INHIBITION;

1,3 PROPANEDIOL; ALCOHOL DEHYDROGENASE; ALKALINE PHOSPHATASE; AMYLOSUCRASE; BUFFER; CREATINE KINASE; EXOPOLYPHOSPHATASE; FRUCTOSE BISPHOSPHATE ALDOLASE; GLUCOSE 6 PHOSPHATE DEHYDROGENASE; GLUCOSE 6 PHOSPHATE ISOMERASE; PHOSPHATASE; SUCRASE; UNCLASSIFIED DRUG;

ARTICLE; BIOTECHNOLOGY; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME INHIBITION; ENZYME MECHANISM; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; MOLECULAR DOCKING; PRIORITY JOURNAL;

ALCOHOL DEHYDROGENASE; BINDING, COMPETITIVE; BUFFERS; COMPUTATIONAL BIOLOGY; FRUCTOSE-BISPHOSPHATASE; GLUCOSE-6-PHOSPHATE ISOMERASE; GLUCOSEPHOSPHATE DEHYDROGENASE; LIGANDS;

EID: 84865640971     PISSN: 01681656     EISSN: 18734863     Source Type: Journal    
DOI: 10.1016/j.jbiotec.2012.08.002     Document Type: Article

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