A strategy for analysis of (molecular) equilibrium simulations: Configuration space density estimation, clustering, and visualization

Journal of Chemical Physics

Volumn 114, Issue 5, 2001, Pages 2079-2089

  Hamprecht, Fred A ^a   Peter, Christine ^a   Daura, Xavier ^a   Thiel, Walter ^b   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); FREE ENERGY; TREES (MATHEMATICS); VISUALIZATION;

DELAUNAY TRIANGULATION; MOLECULAR EQUILIBRIUM; SPANNING TREES;

MOLECULAR PHYSICS;

EID: 0034825161     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1330216     Document Type: Article

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