Calculation of protein ionization equilibria with conformational sampling: Pka of a model leucine zipper, gcn4 and barnase

Proteins: Structure, Function and Genetics

Volumn 46, Issue 1, 2002, Pages 41-60

  Gorfe, Alemayehu A ^a   Ferrara, Philippe ^a   Caflisch, Amedeo ^a   Marti, Daniel N ^a   Bosshard, Hans Rudolf ^a   Jelesarov, Ilian ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

Cluster; Coiled coil; Electrostatics; Ensemble; Molecular dynamics; NMR; Salt bridge

Indexed keywords

BARNASE; LEUCINE ZIPPER PROTEIN; PROTEIN; TRANSCRIPTION FACTOR GCN4; UNCLASSIFIED DRUG;

ACCURACY; ANALYTICAL ERROR; ARTICLE; CALCULATION; DIELECTRIC CONSTANT; ELECTROCHEMISTRY; EXPERIMENTAL MODEL; INTERMETHOD COMPARISON; IONIZATION; MOLECULAR DYNAMICS; MOTION; NUCLEAR MAGNETIC RESONANCE; PKA; PREDICTION; PRIORITY JOURNAL; PROTEIN TERTIARY STRUCTURE; SAMPLING; SIMULATION; TITRIMETRY; VALIDATION PROCESS;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DNA-BINDING PROTEINS; ELECTROCHEMISTRY; FUNGAL PROTEINS; LEUCINE ZIPPERS; MAGNETIC RESONANCE IMAGING; PLIABILITY; PROTEIN CONFORMATION; PROTEIN KINASES; RIBONUCLEASES; SACCHAROMYCES CEREVISIAE PROTEINS;

EID: 0036140263     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10027     Document Type: Article

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