Measuring proteins and voids in proteins

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28th Hawaii International Conference on System Sciences (HICSS'95)

Measuring proteins and voids in proteins (PDF)

Hawaii, USA

January 04-January 07

ISBN: 0-8186-6921-7

	ASCII Text	x
	H. Edelsbrunner, M. Facello, Ping Fu, Jie Liang, "Measuring proteins and voids in proteins," Hawaii International Conference on System Sciences, pp. 256, 28th Hawaii International Conference on System Sciences (HICSS'95), 1995.

	BibTex	x
	@article{ 10.1109/HICSS.1995.375331, author = {H. Edelsbrunner and M. Facello and Ping Fu and Jie Liang}, title = {Measuring proteins and voids in proteins}, journal ={Hawaii International Conference on System Sciences}, volume = {0}, year = {1995}, issn = {1060-3425}, pages = {256}, doi = {http://doi.ieeecomputersociety.org/10.1109/HICSS.1995.375331}, publisher = {IEEE Computer Society}, address = {Los Alamitos, CA, USA}, }

	RefWorks Procite/RefMan/Endnote	x
	TY - CONF JO - Hawaii International Conference on System Sciences TI - Measuring proteins and voids in proteins SN - 1060-3425 SP EP A1 - H. Edelsbrunner, A1 - M. Facello, A1 - Ping Fu, A1 - Jie Liang, PY - 1995 KW - computational geometry; proteins; chemistry computing; chemistry; diagrams; biology computing; proteins; protein voids; geometric models; molecules; space filling diagram; solvent accessible surface; molecular surface; metric properties; surface area; volume; empty space; surface area contributions; 3-dimensional alpha complexes; inclusion-exclusion formulas; three dimensional alpha complexes VL - 0 JA - Hawaii International Conference on System Sciences ER -

H. Edelsbrunner, Illinois Univ., Urbana, IL, USA

M. Facello, Illinois Univ., Urbana, IL, USA

Ping Fu, Illinois Univ., Urbana, IL, USA

Jie Liang, Illinois Univ., Urbana, IL, USA

DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/HICSS.1995.375331

Common geometric models for proteins and other molecules are the space filling diagram, the solvent accessible surface, and the molecular surface. We describe software that computes metric properties of these models, including volume and surface area. It also measures voids or empty space enclosed by the protein, and it keeps track of surface area contributions of individual atoms. The software is based on 3-dimensional alpha complexes and on inclusion-exclusion formulas with terms derived from the simplices in this complex.

Index Terms:

computational geometry; proteins; chemistry computing; chemistry; diagrams; biology computing; proteins; protein voids; geometric models; molecules; space filling diagram; solvent accessible surface; molecular surface; metric properties; surface area; volume; empty space; surface area contributions; 3-dimensional alpha complexes; inclusion-exclusion formulas; three dimensional alpha complexes

Citation:

H. Edelsbrunner, M. Facello, Ping Fu, Jie Liang, "Measuring proteins and voids in proteins," hicss, pp.256, 28th Hawaii International Conference on System Sciences (HICSS'95), 1995

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