Fast calculation of the empty volume in molecular systems by the use of voronoi-delaunay subsimplexes

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

Volumn 8360, Issue , 2014, Pages 156-172

  Voloshin, V P ^a   Medvedev, N N ^a,b   Geiger, A ^c  

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

^b NOVOSIBIRSK STATE UNIVERSITY   (Russian Federation)

^c TU DORTMUND UNIVERSITY   (Germany)

Author keywords

bio molecules; Delaunay simplex; empty volume; Molecular dynamics simulation; molecular volume; occupied volume; partial molar volume; solutions; Voronoi diagram

Indexed keywords

MOLECULES; SOLUTIONS; VOLUME MEASUREMENT; VOLUMETRIC ANALYSIS;

DELAUNAY; EMPTY VOLUME; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR VOLUME; OCCUPIED VOLUME; PARTIAL MOLAR VOLUME; VORONOI DIAGRAMS;

MOLECULAR DYNAMICS;

EID: 84958528357     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-642-54212-1_8     Document Type: Article

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