Validation of the GROMOS force-field parameter set 45A3 against nuclear magnetic resonance data of hen egg lysozyme

Journal of Biomolecular NMR

Volumn 30, Issue 4, 2004, Pages 407-422

  Soares, T A ^a   Daura, X ^b   Oostenbrink, C ^a   Smith, L J ^c   van Gunsteren, W F ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^c UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Generalized order parameters; GROMOS force field; Hen egg white lysozyme; NOE inter proton distances; Spin spin coupling constants

Indexed keywords

AMINO ACID; LYSOZYME; NITROGEN 15; PROTON; WATER;

ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; COMPUTER PROGRAM; CONTROLLED STUDY; EGG; FORCE; HEN; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL; PROTEIN STRUCTURE; SIMULATION; STRUCTURE ANALYSIS; THEORY; VALIDATION PROCESS; X RAY ANALYSIS;

ANIMALS; CHICKENS; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; MURAMIDASE; NITROGEN ISOTOPES; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTONS; REPRODUCIBILITY OF RESULTS;

EID: 11244289541     PISSN: 09252738     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10858-004-5430-1     Document Type: Article

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