NDLI: A Single Beta-Complex Solves All Geometry Problems in a Molecule

Content Provider	IEEE Xplore Digital Library
Author	Deok-Soo Kim
Copyright Year	2009
Abstract	Geometry-related problems in bio-molecules are new challenges as well as opportunities for geometers since it is now strongly agreed that the shape of molecules mostly determines their functions. To analyze the shape of molecule, a systematic approach of handling the proximity among constituting atoms is inevitable. The Voronoi diagram of atoms and its derivative structures have proven their powerful capabilities on analyzing the structure problems of bio-molecules related with geometry or shape of molecules. In this paper, we show that a single ¯-complex of a molecule can be used to efficiently solve many bio-molecular problems which are based on some geometry among atoms in the molecule. We explain the ¯-complex in the context of molecular geometry and shape analysis based on the Voronoi diagram of atoms and the quasi-triangulation. We also compare the capabilities of ¯-complex with the (weighted) ®-complex and (weighted) ®-shape which are based on the power diagram.
Starting Page	254
Ending Page	260
File Size	204307
Page Count	7
File Format	PDF
ISBN	9781424447695
DOI	10.1109/ISVD.2009.41
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2009-06-23
Publisher Place	Denmark
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Geometry Shape Euclidean distance Industrial engineering Crystalline materials Glass Crystals Power engineering and energy IEEE news Data structures beta-shape molecular geometry molecular structure Voronoi diagram quasi-triangulation beta-complex
Content Type	Text
Resource Type	Article

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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