Ionization state and molecular docking studies for the macrophage migration inhibitory factor: The role of lysine 32 in the catalytic mechanism

Journal of Molecular Recognition

Volumn 13, Issue 3, 2000, Pages 146-156

  Soares, T A ^a   Goodsell, D S ^b   Ferreira, R ^c   Olson, A J ^b   Briggs, J M ^a  

^a University of Houston   (United States)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

^c FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

Catalytic mechanism; Lamarckian genetic algorithm molecular docking; Macrophage migration inhibitory factor; pK(a) studies; Poisson Boltzmann electrostatics

Indexed keywords

4 HYDROXYPHENYLPYRUVATE; CATALYST ACTIVITY; DOPACHROME METHYL ESTER; DOPACHROME; MACROPHAGE; MIGRATION INHIBITION FACTOR; SIMULATION; TAUTOMERASE;

CATALYSIS; CATALYTIC DOMAIN; ELECTROSTATICS; INDOLEQUINONES; INDOLES; LYSINE; MACROPHAGE MIGRATION-INHIBITORY FACTORS; MODELS, MOLECULAR; QUINONES;

LAMARCKIA;

EID: 0033916772     PISSN: 09523499     EISSN: None     Source Type: Journal    
DOI: 10.1002/1099-1352(200005/06)13:3<146::AID-JMR497>3.0.CO;2-4     Document Type: Article

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