Quasi-anharmonic analysis reveals intermediate states in the nuclear co-activator receptor binding domain ensemble

Pacific Symposium on Biocomputing

Volumn , Issue , 2012, Pages 70-81

  Burger, Virginia M ^a,b   Ramanathan, Arvind ^a   Savol, Andrej J ^a,b   Stanley, Christopher B ^a   Agarwal, Pratul K ^a   Chennubhotla, Chakra S ^b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

Author keywords

Graph theoretic spectral clustering; Intrinsically disordered proteins; NCBD; Quasi anharmonic analysis

Indexed keywords

CLUSTERING ALGORITHMS; GRAPH THEORY; GRAPHIC METHODS; MOLECULAR DYNAMICS; PROTEINS; TRANSCRIPTION;

ANHARMONIC; CONFORMATIONAL HETEROGENEITY; EXPLICIT SOLVENT MOLECULAR DYNAMICS; INTERMOLECULAR RECOGNITION; INTRINSICALLY DISORDERED PROTEINS; NCBD; ROOT MEAN SQUARED DEVIATIONS; SPECTRAL CLUSTERING;

LIGANDS;

CREBBP PROTEIN, HUMAN; CYCLIC AMP RESPONSIVE ELEMENT BINDING PROTEIN BINDING PROTEIN; LIGAND; NUCLEAR RECEPTOR COACTIVATOR;

ARTICLE; BINDING SITE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION; NUCLEAR MAGNETIC RESONANCE; PROTEIN CONFORMATION; PROTEIN TERTIARY STRUCTURE; SMALL ANGLE SCATTERING; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMPUTATIONAL BIOLOGY; CREB-BINDING PROTEIN; CRYSTALLOGRAPHY, X-RAY; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; NEUTRON DIFFRACTION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; NUCLEAR RECEPTOR COACTIVATORS; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; SCATTERING, SMALL ANGLE;

EID: 84891452851     PISSN: 23356928     EISSN: 23356936     Source Type: Journal    
DOI: None     Document Type: Conference Paper

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