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Volumn 8, Issue 5, 2002, Pages 1031-1039

Molecular dynamics simulation of [Gd(egta)(H2O)]- in aqueous solution: Internal motions of the poly(amino carboxylate) and water ligands, and rotational correlation times

(6) Yerly, Fabrice a Hardcastle, Kenneth I b Helm, Lothar a Aime, Silvio c Botta, Mauro d Merbach, André E a

a EPFL BCH (Switzerland)

b EMORY UNIVERSITY (United States)

c UNIVERSITY OF TURIN (Italy)

d UNIVERSITY OF EASTERN PIEDMONT (Italy)

Author keywords

Conformation analysis; Gadolinium; Imaging agents; Magnetic resonance imaging; Molecular dynamics; Solvation

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DATA REDUCTION; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PROTONS; SOLUTIONS; VECTORS;

WATER LIGANDS;

ORGANIC POLYMERS;

EGTAZIC ACID; GADOLINIUM CHELATE; LIGAND; WATER;

AQUEOUS SOLUTION; ARTICLE; COMPLEX FORMATION; CORRELATION ANALYSIS; COVALENT BOND; CRYSTALLOGRAPHY; MOLECULAR DYNAMICS; MOTION; SIMULATION;

EID: 0036501596 PISSN: 09476539 EISSN: None Source Type: Journal
DOI: 10.1002/1521-3765(20020301)8:5<1031::AID-CHEM1031>3.0.CO;2-9 Document Type: Article

Times cited : (51)

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