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2016 | 4 | 1 |
Tytuł artykułu

Mesh Generation and Flexible Shape Comparisons for Bio-Molecules

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
Novel approaches for generating and comparing flexible (non-rigid) molecular surface meshes are developed. The mesh-generating method is fast and memory-efficient. The resulting meshes are smooth and accurate, and possess high mesh quality. An isometric-invariant shape descriptor based on the Laplace- Beltrami operator is then explored for mesh comparing. The new shape descriptor is more powerful in discriminating different surface shapes but rely only on a small set of signature values. The shape descriptor is applied to shape comparison between molecules with deformed structures. The proposed methods are implemented into a program that can be used as a stand-alone software tool or as a plug-in to other existing molecular modeling tools. Particularly, the code is encapsulated into a software toolkit with a user-friendly graphical interface developed by the authors.
Wydawca
Rocznik
Tom
4
Numer
1
Opis fizyczny
Daty
otrzymano
2015-09-08
zaakceptowano
2016-03-13
online
2016-04-07
Twórcy
autor
  • College of Computer Science and Technology, Jilin University, 2699 Qianjin Street, 130012 Changchun, China
  • Department of Computer Science, University of Wisconsin at Milwaukee, 3200 North Cramer Street, 53211 Milwaukee, United States
autor
  • The First Hospital of Jilin University 71 Xinmin Street, 130021 Changchun, China
autor
  • Department of Computer Science, University of Wisconsin at Milwaukee, 3200 North Cramer Street, 53211 Milwaukee, United States
autor
  • Department of Computer Science, University of Wisconsin at Milwaukee, 3200 North Cramer Street, 53211 Milwaukee, United States
Bibliografia
Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.doi-10_1515_mlbmb-2016-0001
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