Response of small-scale, methyl rotors to protein-ligand association: A simulation analysis of calmodulin-peptide binding

Journal of the American Chemical Society

Volumn 131, Issue 29, 2009, Pages 10083-10091

  Krishnan, Marimuthu ^a   Smith, Jeremy C ^a,b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALMODULIN BINDING DOMAIN; LIGAND BINDING; METHYL GROUP; MOLECULAR DYNAMICS SIMULATIONS; NONLINEAR DEPENDENCE; ORDER PARAMETER; PEPTIDE BINDING; PROTEIN-LIGAND ASSOCIATION; PROTEIN-PEPTIDE BINDING; ROTATIONAL BARRIERS; ROTATIONAL ENTROPY; SIMULATION ANALYSIS; SITE-SPECIFIC; STRUCTURAL CHANGE;

AMINES; CAMS; ENERGY BARRIERS; FREE ENERGY; HYDROCARBONS; LIGANDS; MOLECULAR DYNAMICS;

BINDING ENERGY;

CALMODULIN; CALMODULIN BINDING PROTEIN; LIGAND; METHYL GROUP; MYOSIN; PEPTIDE;

ARTICLE; ENERGY TRANSFER; ENTROPY; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; MOTION; NONLINEAR SYSTEM; NORMAL DISTRIBUTION; NUCLEAR MAGNETIC RESONANCE; PEPTIDE ANALYSIS; PROTEIN BINDING; PROTEIN DOMAIN; PROTEIN STRUCTURE; ROTATION; SIMULATION;

CALMODULIN; COMPUTER SIMULATION; LIGANDS; METHYLATION; MODELS, CHEMICAL; MODELS, MOLECULAR; MYOSINS; PROTEIN BINDING; REPRODUCIBILITY OF RESULTS; THERMODYNAMICS;

EID: 67651202061     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja901276n     Document Type: Article

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