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COMPGEOM
2003
ACM
14 years 3 months ago
Molecular shape analysis based upon the morse-smale complex and the connolly function
Docking is the process by which two or several molecules form a complex. Docking involves the geometry of the molecular surfaces, as well as chemical and energetical consideration...
Frédéric Cazals, Frédé...
CSB
2005
IEEE
129views Bioinformatics» more  CSB 2005»
14 years 3 months ago
Deformable Modeling for Improved Calculation of Molecular Velocities from Single-Particle Tracking
Single-particle tracking provides a powerful technique for measuring dynamic cellular processes on the level of individual molecules. Much recent work has been devoted to using si...
Peter M. Kasson, Mark M. Davis, Axel T. Brüng...
CIBCB
2008
IEEE
14 years 4 months ago
Parallel multi-objective algorithms for the molecular docking problem
— Molecular docking is an essential tool for drug design. It helps the scientist to rapidly know if two molecules, respectively called ligand and receptor, can be combined togeth...
Jean-Charles Boisson, Laetitia Jourdan, El-Ghazali...
CSB
2004
IEEE
112views Bioinformatics» more  CSB 2004»
14 years 1 months ago
Reasoning about Molecular Similarity and Properties
Ascertaining the similarity amongst molecules is a fundamental problem in biology and drug discovery. Since similar molecules tend to have similar biological properties, the notio...
Rahul Singh
MICCAI
2008
Springer
14 years 11 months ago
Kinetic Modeling Based Probabilistic Segmentation for Molecular Images
Abstract. We propose a semi-supervised, kinetic modeling based segmentation technique for molecular imaging applications. It is an iterative, self-learning algorithm based on uncer...
Ahmed Saad, Benjamin Smith 0002, Ghassan Hamarneh,...