Conformational transitions upon ligand binding: Holo-structure prediction from apo conformations

PLoS Computational Biology

Volumn 6, Issue 1, 2010, Pages

  Seeliger, Daniel ^a   De Groot, Bert L ^a  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; CRYSTAL ATOMIC STRUCTURE; FORECASTING; LIGANDS; PROTEINS;

BIOLOGICAL FUNCTIONS; CONFORMATIONAL TRANSITIONS; LIGAND BINDING; MOLECULE LIGANDS; PROTEIN-LIGAND COMPLEXES; RECEPTOR MODELING; SMALL MOLECULES; STRUCTURE BASED DRUG DESIGNS; STRUCTURE DETERMINATION; STRUCTURE PREDICTION;

CONFORMATIONS;

ACCURACY; ARTICLE; CRYSTAL STRUCTURE; DRUG DESIGN; LIGAND BINDING; PREDICTION; PROTEIN STRUCTURE; SIMULATION; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

APOPROTEIN; HOLOENZYME; LIGAND;

APOPROTEINS; CRYSTALLOGRAPHY, X-RAY; HOLOENZYMES; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 76749123486     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1000634     Document Type: Article

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