Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

Journal of Molecular Graphics and Modelling

Volumn 38, Issue , 2012, Pages 314-323

  Lu, Tian ^a,b   Chen, Feiwu ^a,b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

^b Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials   (China)

Author keywords

Average local ionization energy; Electrostatic potential; Interpolation accuracy; Marching Tetrahedra; Molecular surface

Indexed keywords

ANALYSIS TIME; ARTIFICIAL SURFACES; ELECTROSTATIC POTENTIALS; GRID-SPACINGS; ITERATION PROCEDURE; LINEAR INTERPOLATION; LOCAL IONIZATION ENERGIES; MARCHING TETRAHEDRA; MOLECULAR SURFACES; NON-COVALENT INTERACTION; REACTIVE SITE;

ALGORITHMS; COMPUTER GRAPHICS; ELECTROSTATICS; GEOMETRY; MOLECULAR RECOGNITION; SURFACE ANALYSIS;

ITERATIVE METHODS;

ACCURACY; ALGORITHM; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; IONIZATION; MARCHING TETRAHEDRA ALGORITHM; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; STATIC ELECTRICITY; SURFACE PROPERTY;

ALGORITHMS; BINDING SITES; COMPUTER GRAPHICS; COMPUTER SIMULATION; IMAGING, THREE-DIMENSIONAL; MODELS, CHEMICAL; SMALL MOLECULE LIBRARIES; STATIC ELECTRICITY; SURFACE PROPERTIES;

EID: 84867438170     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2012.07.004     Document Type: Article

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