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Journal of Computational Chemistry

Volumn 34, Issue 18, 2013, Pages 1540-1548

Parameters for molecular dynamics simulations of iron-sulfur proteins

(3) Carvalho, Alexandra T P a Teixeira, Ana F S b Ramos, Maria J b

a UNIVERSITY OF GIRONA (Spain)

b Campus Universitário de Santiago (Portugal)

Author keywords

AMBER force field parameters; iron sulfur proteins; quantum mechanics molecular mechanics theory

Indexed keywords

AMBER FORCE-FIELD; COORDINATION SPHERE; DERIVED PARAMETERS; ELECTRON-TRANSFER REACTIONS; IRON-SULFUR PROTEINS; MOLECULAR DYNAMICS SIMULATIONS; PARAMETER VALIDATION; QUANTUM MECHANICS/MOLECULAR MECHANICS;

AMBER; AMIDES; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; IRON; LIGANDS; MOLECULAR DYNAMICS; MOLECULAR MODELING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; REACTION KINETICS; REDOX REACTIONS; SULFUR;

PROTEINS;

IRON SULFUR PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS;

IRON-SULFUR PROTEINS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION;

EID: 84878908637 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23287 Document Type: Article

Times cited : (34)

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