Structure determination of a pseudotripeptide zinc complex with the COSMOS-NMR force field and DFT methods

Journal of Biomolecular NMR

Volumn 24, Issue 4, 2002, Pages 277-289

  Witter, Raiker ^a   Seyfart, Lydia ^a   Greiner, George ^a   Reissmann, Siegmund ^a   Weston, Jennie ^a   Anders, Ernst ^a   Sternberg, Ulrich ^a  

^a FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

Carboanhydrase; Carbonic anhydrase; Geometry optimization; Molecular dynamics; Peptide; Pseudo forces; Restriction; Simulated annealing; Structure determination; Zinc complex

Indexed keywords

CARBON; CARBON 13; CARBONATE DEHYDRATASE; GLYCINE DERIVATIVE; PROTON; PSEUDOPEPTIDE; TRIPEPTIDE DERIVATIVE; ZINC COMPLEX;

ANALYTIC METHOD; ARTICLE; CATALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPUTER PROGRAM; COMPUTER SIMULATION; CONTROLLED STUDY; GEOMETRY; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR OVERHAUSER EFFECT; POLARIZATION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN STRUCTURE; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING;

CARBON ISOTOPES; CARBONIC ANHYDRASES; CATALYTIC DOMAIN; COMPUTER SIMULATION; METALLOPROTEINS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OLIGOPEPTIDES; ZINC;

EID: 0036978994     PISSN: 09252738     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1021625231147     Document Type: Article

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