Calculation of the volumetric characteristics of biomacromolecules in solution by the Voronoi-Delaunay technique.

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第一作者： Vladimir P,Voloshin

第一单位： Institute of Chemical Kinetics and Combustion, SB RAS, 630090 Novosibirsk, Russia. Electronic address: voloshin@kinetics.nsc.ru.

作者： Vladimir P,Voloshin ^[1] ; Alexandra V,Kim ^[2] ; Nikolai N,Medvedev ^[3] ; Roland,Winter ^[4] ; Alfons,Geiger ^[5]

作者单位： Institute of Chemical Kinetics and Combustion, SB RAS, 630090 Novosibirsk, Russia. Electronic address: voloshin@kinetics.nsc.ru. ^[1] Institute of Chemical Kinetics and Combustion, SB RAS, 630090 Novosibirsk, Russia. Electronic address: kim@kinetics.nsc.ru. ^[2] Institute of Chemical Kinetics and Combustion, SB RAS, 630090 Novosibirsk, Russia; Novosibirsk State University, 630090 Novosibirsk, Russia. Electronic address: nikmed@kinetics.nsc.ru. ^[3] Fakultät für Chemie und Chemische Biologie, Technische Universität Dortmund, 44221 Dortmund, Germany. Electronic address: roland.winter@tu-dortmund.de. ^[4] Fakultät für Chemie und Chemische Biologie, Technische Universität Dortmund, 44221 Dortmund, Germany. Electronic address: alfons.geiger@tu-dortmund.de. ^[5]

关键词 Apparent volume Biomolecular solution Boundary void Molecular dynamics simulation Thermal volume Voronoi–Delaunay tessellation

主题词大分子物质(Macromolecular Substances);分子动力学模拟(Molecular Dynamics Simulation);溶液(Solutions)

DOI 10.1016/j.bpc.2014.05.001

PMID 24912030

发布时间 2014-07-26

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