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» Molecular Surface Decomposition Using Graphical Modeling
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SMA
2008
ACM
150views Solid Modeling» more  SMA 2008»
13 years 5 months ago
Surface matching using consistent pants decomposition
Surface matching is fundamental to shape computing and various downstream applications. This paper develops a powerful pants decomposition framework for computing maps between sur...
Xin Li, Xianfeng Gu, Hong Qin
SMA
2009
ACM
185views Solid Modeling» more  SMA 2009»
14 years 8 days ago
A dynamic data structure for flexible molecular maintenance and informatics
We present the “Dynamic Packing Grid” (DPG) data structure along with details of our implementation and performance results, for maintaining and manipulating flexible molecul...
Chandrajit L. Bajaj, Rezaul Alam Chowdhury, Muhibu...
IRREGULAR
1998
Springer
13 years 10 months ago
Modeling Dynamic Load Balancing in Molecular Dynamics to Achieve Scalable Parallel Execution
To achieve scalable parallel performance in Molecular Dynamics Simulation, we have modeled and implemented several dynamic spatial domain decomposition algorithms. The modeling is ...
Lars S. Nyland, Jan Prins, Ru Huai Yun, Jan Herman...
IPPS
2010
IEEE
13 years 3 months ago
Measuring properties of molecular surfaces using ray casting
Molecular geometric properties, such as volume, exposed surface area, and occurrence of internal cavities, are important inputs to many applications in molecular modeling. In this ...
Mike Phillips, Iliyan Georgiev, Anna Katharina Deh...
CAGD
2006
120views more  CAGD 2006»
13 years 5 months ago
Quality meshing of implicit solvation models of biomolecular structures
This paper describes a comprehensive approach to construct quality meshes for implicit solvation models of biomolecular structures starting from atomic resolution data in the Prot...
Yongjie Zhang, Guoliang Xu, Chandrajit L. Bajaj