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Angewandte Chemie - International Edition

Volumn 54, Issue 21, 2015, Pages 6246-6250

Multiscale modeling of the active site of [Fe] hydrogenase: The H2 binding site in open and closed protein conformations

(3) Hedegård, Erik Donovan a Kongsted, Jacob a Ryde, Ulf b

a UNIVERSITY OF SOUTHERN DENMARK (Denmark)

b LUND UNIVERSITY (Sweden)

Author keywords

hydrogen activation; molecular mechanics; multiscale modeling; quantum mechanics; Fe hydrogenase

Indexed keywords

CHEMICAL ACTIVATION; CONTINUUM MECHANICS; MOLECULAR MECHANICS; PROTEINS; QUANTUM THEORY;

ELECTROSTATIC EFFECT; HYDRIDE TRANSFERS; HYDROGEN ACTIVATION; HYDROGENASES; MULTI-SCALE MODELING; PROTEIN CONFORMATION; RELATIVE ENERGIES; TRANSITION STRUCTURES;

HYDRIDES;

HYDROGEN; HYDROGENASE; IRON HYDROGENASE; IRON SULFUR PROTEIN;

BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; ENZYMOLOGY; METABOLISM; METHANOCALDOCOCCUS; PROTEIN CONFORMATION; QUANTUM THEORY;

BINDING SITES; CATALYTIC DOMAIN; HYDROGEN; HYDROGENASE; IRON-SULFUR PROTEINS; METHANOCALDOCOCCUS; MODELS, MOLECULAR; PROTEIN CONFORMATION; QUANTUM THEORY;

EID: 84928984220 PISSN: 14337851 EISSN: 15213773 Source Type: Journal
DOI: 10.1002/anie.201501737 Document Type: Article

Times cited : (21)

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