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» Minimal molecular surfaces and their applications
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JCC
2008
85views more  JCC 2008»
13 years 4 months ago
Minimal molecular surfaces and their applications
Abstract: This article presents a novel concept, the minimal molecular surface (MMS), for the theoretical modeling of biomolecules. The MMS can be viewed as a result of the surface...
P. W. Bates, G. W. Wei, Shan Zhao
COMPLIFE
2006
Springer
13 years 8 months ago
A Point-Matching Based Algorithm for 3D Surface Alignment of Drug-Sized Molecules
Abstract. Molecular shapes play an important role in molecular interactions, e.g., between a protein and a ligand. The `outer' shape of a molecule can be approximated by its s...
Daniel Baum, Hans-Christian Hege
IPPS
2010
IEEE
13 years 2 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...
GMP
2006
IEEE
108views Solid Modeling» more  GMP 2006»
13 years 11 months ago
Towards Unsupervised Segmentation of Semi-rigid Low-Resolution Molecular Surfaces
In this paper, we study a particular type of surface segmentation problem motivated by molecular biology applications. In particular, two input surfaces are given, coarsely modeli...
Yusu Wang, Leonidas J. Guibas
JCC
2002
88views more  JCC 2002»
13 years 4 months ago
Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory
: A new method for the characterization of molecules based on the model approach of molecular surfaces is presented. We use the topographical properties of the surface as well as t...
Thomas E. Exner, Matthias Keil, Jürgen Brickm...