Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters

Journal of Chemical Information and Modeling

Volumn 54, Issue 2, 2014, Pages 613-620

  Carvalho, Alexandra T P ^a,b   Swart, Marcel ^a,c  

^a UNIVERSITY OF GIRONA   (Spain)

^b Department of Cell and Molecular Biology   (Sweden)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; IRON; SULFUR;

BIOMOLECULAR SIMULATION; BOND LENGTHS AND ANGLES; CLASSICAL MOLECULAR DYNAMICS; ELECTRON TRANSPORT CHAIN; FORCE FIELD PARAMETERS; IRON-SULFUR CLUSTERS; MOLECULAR DYNAMICS SIMULATIONS; RESPIRATORY COMPLEX;

MOLECULAR DYNAMICS;

IRON; IRON SULFUR PROTEIN; SULFUR;

ARTICLE; CHEMISTRY; ELECTRON; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; QUANTUM THEORY;

ELECTRONS; HYDROGEN BONDING; IRON; IRON-SULFUR PROTEINS; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; QUANTUM THEORY; SULFUR;

EID: 84894656647     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400718m     Document Type: Article

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