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» Rigid substructure search
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SLS
2009
Springer
227views Algorithms» more  SLS 2009»
13 years 12 months ago
Loopy Substructural Local Search for the Bayesian Optimization Algorithm
Cláudio F. Lima, Martin Pelikan, Fernando G...
RECOMB
1999
Springer
13 years 9 months ago
Fast detection of common geometric substructure in proteins
We consider the problem of identifying common three-dimensional substructures between proteins. Our method is based on comparing the shape of the α-carbon backbone structures of ...
L. Paul Chew, Daniel P. Huttenlocher, Klara Kedem,...
ICDM
2002
IEEE
91views Data Mining» more  ICDM 2002»
13 years 10 months ago
Mining Molecular Fragments: Finding Relevant Substructures of Molecules
We present an algorithm to find fragments in a set of molecules that help to discriminate between different classes of, for instance, activity in a drug discovery context. Instea...
Christian Borgelt, Michael R. Berthold
BIBE
2007
IEEE
152views Bioinformatics» more  BIBE 2007»
13 years 5 months ago
SBLAST: Structural Basic Local Alignment Searching Tools using Geometric Hashing
While much research has been done on finding similarities between protein sequences, there has not been the same progress on finding similarities between protein structures. Here ...
Tom Milledge, Gaolin Zheng, Tim Mullins, Giri Nara...
KDD
2012
ACM
242views Data Mining» more  KDD 2012»
11 years 7 months ago
Query-driven discovery of semantically similar substructures in heterogeneous networks
Heterogeneous information networks that contain multiple types of objects and links are ubiquitous in the real world, such as bibliographic networks, cyber-physical networks, and ...
Xiao Yu, Yizhou Sun, Peixiang Zhao, Jiawei Han