Mesh Generation and Flexible Shape Comparisons for Bio-Molecules

Zhanheng Gao, et al. "Mesh Generation and Flexible Shape Comparisons for Bio-Molecules." Molecular Based Mathematical Biology 4.1 (2016): null. <http://eudml.org/doc/276912>.

@article{ZhanhengGao2016,
abstract = {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.},
author = {Zhanheng Gao, Reihaneh Rostami, Xiaoli Pang, Zhicheng Fu, Zeyun Yu},
journal = {Molecular Based Mathematical Biology},
keywords = {Bio-molecules; Mesh generation; Shape descriptor; Shape-DNA; Laplace-Beltrami operator},
language = {eng},
number = {1},
pages = {null},
title = {Mesh Generation and Flexible Shape Comparisons for Bio-Molecules},
url = {http://eudml.org/doc/276912},
volume = {4},
year = {2016},
}

TY - JOUR
AU - Zhanheng Gao
AU - Reihaneh Rostami
AU - Xiaoli Pang
AU - Zhicheng Fu
AU - Zeyun Yu
TI - Mesh Generation and Flexible Shape Comparisons for Bio-Molecules
JO - Molecular Based Mathematical Biology
PY - 2016
VL - 4
IS - 1
SP - null
AB - 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.
LA - eng
KW - Bio-molecules; Mesh generation; Shape descriptor; Shape-DNA; Laplace-Beltrami operator
UR - http://eudml.org/doc/276912
ER -