Stochastic proximity embedding: Methods and applications

Molecular Informatics

Volumn 29, Issue 11, 2010, Pages 758-770

  Agrafiotis, Dimitris K ^a   Xu, Huafeng ^b   Zhu, Fangqiang ^c   Bandyopadhyay, Deepak ^d   Liu, Pu ^a  

^a JOHNSON AND JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT   (United States)

^b D E SHAW RESEARCH   (United States)

^c NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

^d GLAXOSMITHKLINE   (United States)

Author keywords

Alignment; Boosting; Conformational analysis; Dimensionality reduction; Docking; Loop modeling; Manifold learning; Nonlinear mapping; Pharmacophore; Protein loop; Self organizing superposition; Stochastic proximity embedding; Stochastic search; Structure depiction; Systematic search

Indexed keywords

COMPUTATIONAL CHEMISTRY;

BOOSTING; CONFORMATIONAL ANALYSIS; DIMENSIONALITY REDUCTION; DOCKING; EMBEDDINGS; LOOP MODELS; MANIFOLD LEARNING; NONLINEAR MAPPINGS; PHARMACOPHORES; PROTEIN LOOP; SELF-ORGANISING; SELF-ORGANIZING SUPERPOSITION; STOCHASTIC PROXIMITY EMBEDDING; STOCHASTIC SEARCH; STOCHASTICS; STRUCTURE DEPICTION; SYSTEMATIC SEARCHES;

STOCHASTIC SYSTEMS;

ALGORITHM; ALLOMETRY; AMINO ACID SEQUENCE; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CONCEPTUAL FRAMEWORK; CONFORMATIONAL TRANSITION; EMBEDDING; GEOMETRY; LIGAND BINDING; MOLECULAR DOCKING; NONLINEAR SYSTEM; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN STRUCTURE, FUNCTION AND VARIABILITY; SEQUENCE ANALYSIS; STOCHASTIC MODEL;

EID: 78650209298     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201000134     Document Type: Article

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