Pseudocontact shifts as constraints for energy minimization and molecular dynamics calculations on solution structures of paramagnetic metalloproteins

Proteins: Structure, Function and Genetics

Volumn 29, Issue 1, 1997, Pages 68-76

  Banci, Lucia ^a   Bertini, Ivano ^a   Savellini, Giovanni Gori ^a   Romagnoli, Andrea ^a   Turano, Paola ^a   Cremonini, Mauro A ^b   Luchinat, Claudio ^b   Gray, Harry B ^c  

^a UNIVERSITY OF FLORENCE   (Italy)

^b UNIVERSITY OF BOLOGNA   (Italy)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Molecular dynamics; Pseudocontact shifts; Restrained energy minimization; Structure calculations

Indexed keywords

METALLOPROTEIN;

ARTICLE; CALCULATION; COMPUTER PROGRAM; GEOMETRY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN STRUCTURE; STRUCTURE ANALYSIS;

ALGORITHMS; ANISOTROPY; COMPUTER SIMULATION; COMPUTING METHODOLOGIES; MAGNETIC RESONANCE SPECTROSCOPY; MATHEMATICAL COMPUTING; METALLOPROTEINS; MODELS, MOLECULAR; SOFTWARE; SOLUTIONS; THERMODYNAMICS;

EID: 0030954693     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(199709)29:1<68::AID-PROT5>3.0.CO;2-B     Document Type: Article

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