Comparing geometric and kinetic cluster algorithms for molecular simulation data

Journal of Chemical Physics

Volumn 132, Issue 7, 2010, Pages

  Keller, Bettina ^a   Daura, Xavier ^b   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ALGORITHMS; DATA SETS; DENSITY-BASED; DISTANCE METRICS; FOLDED STATE; FREE ENERGY SURFACE; GEOMETRIC CLUSTERING; GEOMETRIC CLUSTERS; HEPTAPEPTIDES; INPUT PARAMETER; K-MEDOIDS; META-STABLE STATE; MOLECULAR SIMULATIONS; NEAREST-NEIGHBORS;

CLUSTER ANALYSIS; METHANOL; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULES; POPULATION STATISTICS; TWO DIMENSIONAL;

CLUSTERING ALGORITHMS;

OLIGOPEPTIDE;

ALGORITHM; AMINO ACID SEQUENCE; ARTICLE; CHEMISTRY; CLUSTER ANALYSIS; KINETICS; MOLECULAR DYNAMICS; PROTEIN FOLDING;

ALGORITHMS; AMINO ACID SEQUENCE; CLUSTER ANALYSIS; KINETICS; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PROTEIN FOLDING;

EID: 77149131242     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3301140     Document Type: Article

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