CAD and Graphics: Molecular field feature extraction and analysis with level set method

Authors:
Wei Han;Zhidong Jin;Li Wang;Min Hu;Zhangye Wang;Qunsheng Peng
Affiliations:
State Key Laboratory of CAD & CG, Zhejiang University, Hangzhou, Zhejiang 310027, China and Center of Mathematical Sciences, Zhejiang University, Hangzhou, Zhejiang 310027, China;State Key Laboratory of CAD & CG, Zhejiang University, Hangzhou, Zhejiang 310027, China;State Key Laboratory of CAD & CG, Zhejiang University, Hangzhou, Zhejiang 310027, China;State Key Laboratory of CAD & CG, Zhejiang University, Hangzhou, Zhejiang 310027, China;State Key Laboratory of CAD & CG, Zhejiang University, Hangzhou, Zhejiang 310027, China;State Key Laboratory of CAD & CG, Zhejiang University, Hangzhou, Zhejiang 310027, China
Venue:
Computers and Graphics
Year:
2008

Citing 11
Cited 0

Fronts propagating with curvature-dependent speed: algorithms based on Hamilton-Jacobi formulations

Journal of Computational Physics
Shape Modeling with Front Propagation: A Level Set Approach

IEEE Transactions on Pattern Analysis and Machine Intelligence
Geodesic Active Contours

International Journal of Computer Vision
Level set methods: an overview and some recent results

Journal of Computational Physics
Scientific Computing: An Introductory Survey

Scientific Computing: An Introductory Survey
The Use of Active Shape Models for Locating Structures in Medical Images

IPMI '93 Proceedings of the 13th International Conference on Information Processing in Medical Imaging
Level Set Methods and Image Segmentation

MIAR '01 Proceedings of the International Workshop on Medical Imaging and Augmented Reality (MIAR '01)
Level Set Evolution without Re-Initialization: A New Variational Formulation

CVPR '05 Proceedings of the 2005 IEEE Computer Society Conference on Computer Vision and Pattern Recognition (CVPR'05) - Volume 1 - Volume 01
Area and length minimizing flows for shape segmentation

IEEE Transactions on Image Processing
Active contours without edges

IEEE Transactions on Image Processing
Segmentation of biological volume datasets using a level-set framework

VG'01 Proceedings of the 2001 Eurographics conference on Volume Graphics

Quantified Score

Hi-index	0.00

Visualization

Abstract

In this paper, we exploit the level set methods to extract and analyze the feature of macromolecular field. For the 3D volume data of the field, we propose a novel variational formulation of the geometric active contour, which is composed of an external energy to drive the active contour, and an internal energy which penalizes the level set function adaptively to avoid periodically re-initializing. We adjust the parameters of each component and examine their influences in the whole process. Our approach provides an intuitive way to study spatial relationships of the segmented regions. Compared with the traditional level set frameworks, our approach is more accurate and efficient on the feature extraction regarding the HIV-1 protease molecular field and the DPS protein molecular field. During the exploration, we successfully found the escape route of water molecules hidden in the HIV-1 protease and the internal cavity of the DPS protein for the iron atom's entry and deposition. Both of these results support the experimental results given by chemists and biologists.