Decomposition of a protein solution into voronoi shells and delaunay layers: Calculation of the volumetric properties

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 8110, Issue , 2013, Pages 56-71

  Kim, Alexandra V ^a   Voloshin, Vladimir P ^a   Medvedev, Nikolai N ^a,b   Geiger, Alfons ^c  

^a INSTITUTE OF CHEMICAL KINETICS AND COMBUSTION   (Russian Federation)

^b NOVOSIBIRSK STATE UNIVERSITY   (Russian Federation)

^c TU DORTMUND UNIVERSITY   (Germany)

Author keywords

Delaunay simplexes; molecular dynamics of solutions; partial molar volume; solvation shell; Voronoi cells; Voronoi diagram

Indexed keywords

COMPUTATIONAL GEOMETRY; DYNAMIC MODELS; GRAPHIC METHODS; MOLECULAR DYNAMICS; MOLECULES; NUMERICAL MODELS; PROTEINS; VOLUME MEASUREMENT; VOLUMETRIC ANALYSIS;

DELAUNAY; PARTIAL MOLAR VOLUME; SOLVATION SHELL; VORONOI CELL; VORONOI DIAGRAMS;

SHELLS (STRUCTURES);

EID: 84892760073     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-642-41905-8_5     Document Type: Conference Paper

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