Efficient incorporation of protein flexibility and dynamics into molecular docking simulations

Biochemistry

Volumn 50, Issue 28, 2011, Pages 6157-6169

  Lill, Markus A ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOPHYSICAL MODEL; COMPUTATIONAL STUDIES; CONFIGURATIONAL ENTROPY; CONFORMATIONAL CHANGE; CONFORMATIONAL SELECTION; INDUCED FIT; LIGAND BINDING; MOLECULAR DOCKING SIMULATIONS; PROTEIN DYNAMICS; PROTEIN FLEXIBILITY; PROTEIN-LIGAND DOCKING; SOLVATION EFFECT;

LIGANDS; MOLECULAR BIOLOGY; MOLECULAR RECOGNITION;

PROTEINS;

ARTICLE; BIOPHYSICS; CONFORMATIONAL TRANSITION; ENTROPY; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; PRIORITY JOURNAL; PROTEIN FLEXIBILITY; PROTEIN STRUCTURE; SOLVATION;

ANIMALS; AVIAN PROTEINS; CHARADRIIFORMES; CRYSTALLOGRAPHY, X-RAY; ENTROPY; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; NEURAMINIDASE; PROTEIN BINDING; PROTEIN CONFORMATION; RECEPTORS, G-PROTEIN-COUPLED; VIRAL PROTEINS;

EID: 79960218748     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi2004558     Document Type: Article

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