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Volumn 31, Issue 2, 2005, Pages 97-114

NMR structure determination of proteins supplemented by quantum chemical calculations: Detailed structure of the Ca2+ sites in the EGF34 fragment of protein S

(3) Hsiao, Ya Wen a Drakenberg, Torbjörn a Ryde, Ulf a

a LUND UNIVERSITY (Sweden)

Author keywords

Ca2+ sites; Density functional calculations; EGF modules; NMR refinement; QM MM methods

Indexed keywords

CALCIUM ION; GLUTAMIC ACID; PROTEIN S; VITAMIN K GROUP;

ACCURACY; ARTICLE; BINDING SITE; CALCULATION; CHEMICAL BINDING; COMPUTER PROGRAM; CONTROLLED STUDY; CRYSTAL STRUCTURE; FREQUENCY ANALYSIS; GEOMETRY; INTERMETHOD COMPARISON; LIGAND BINDING; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN DOMAIN; PROTEIN STRUCTURE; QUANTUM CHEMISTRY; SIMULATION; STRUCTURE ANALYSIS;

BINDING SITES; CALCIUM; CALIBRATION; CATIONS, DIVALENT; EPIDERMAL GROWTH FACTOR; LIGANDS; MODELS, MOLECULAR; NITROGEN; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OXYGEN; PEPTIDE FRAGMENTS; PROTEIN S; PROTEIN STRUCTURE, TERTIARY;

EID: 15844393284 PISSN: 09252738 EISSN: None Source Type: Journal
DOI: 10.1007/s10858-004-6729-7 Document Type: Article

Times cited : (22)

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