A QM/MM study of proton transport pathways in a [NiFe] hydrogenase

Proteins: Structure, Function and Genetics

Volumn 73, Issue 1, 2008, Pages 195-203

  Galván, Ignacio Fdez ^a,b   Volbeda, Anne ^a   Fontecilla Camps, Juan C ^a   Field, Martin J ^a  

^a INSTITUT DE BIOLOGIE STRUCTURALE   (France)

^b UNIVERSITY OF EXTREMADURA   (Spain)

Author keywords

Desulfovibrio fructosovorans; Minimum energy path; Molecular dynamics; Nudged elastic band method; Proton transfer

Indexed keywords

NICKEL IRON HYDROGENASE;

ARTICLE; CALCULATION; CRYSTALLOGRAPHY; DESULFOVIBRIO FRUCTOSOVORANS; ENZYME ACTIVE SITE; ENZYME STRUCTURE; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; SIMULATION;

COMPUTER SIMULATION; DESULFOVIBRIO; HYDROGENASE; ION TRANSPORT; MODELS, MOLECULAR; PROTONS;

DESULFOVIBRIO FRUCTOSOVORANS;

EID: 50849141732     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22045     Document Type: Article

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