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» Graphs in molecular biology
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ICML
2005
IEEE
16 years 7 months ago
Optimal assignment kernels for attributed molecular graphs
We propose a new kernel function for attributed molecular graphs, which is based on the idea of computing an optimal assignment from the atoms of one molecule to those of another ...
Andreas Zell, Florian Sieker, Holger Fröhlich...
SIAMSC
2008
182views more  SIAMSC 2008»
15 years 6 months ago
A Distributed SDP Approach for Large-Scale Noisy Anchor-Free Graph Realization with Applications to Molecular Conformation
We propose a distributed algorithm for solving Euclidean metric realization problems arising from large 3D graphs, using only noisy distance information, and without any prior kno...
Pratik Biswas, Kim-Chuan Toh, Yinyu Ye
WABI
2005
Springer
15 years 11 months ago
Improved Maintenance of Molecular Surfaces Using Dynamic Graph Connectivity
We present recent developments in efficiently maintaining the boundary and surface area of protein molecules as they undergo conformational changes. As the method that we devised k...
Eran Eyal, Dan Halperin
JCISD
2000
48views more  JCISD 2000»
15 years 6 months ago
Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure
Ovidiu Ivanciuc, Stavros L. Taraviras, Daniel Cabr...
NAR
2008
175views more  NAR 2008»
15 years 6 months ago
Onto-CC: a web server for identifying Gene Ontology conceptual clusters
The Gene Ontology (GO) vocabulary has been extensively explored to analyze the functions of coexpressed genes. However, despite its extended use in Biology and Medical Sciences, t...
Rocío Romero-Záliz, Coral del Val, J...