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BMCBI
2010
123views more  BMCBI 2010»
15 years 6 months ago
A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
Background: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug desi...
Brice Hoffmann, Mikhail Zaslavskiy, Jean-Philippe ...
BMCBI
2010
129views more  BMCBI 2010»
15 years 6 months ago
The LabelHash Algorithm for Substructure Matching
Background: There is an increasing number of proteins with known structure but unknown function. Determining their function would have a significant impact on understanding diseas...
Mark Moll, Drew H. Bryant, Lydia E. Kavraki
BMCBI
2008
131views more  BMCBI 2008»
15 years 6 months ago
K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space
Background: Kernel-based classification and regression methods have been successfully applied to modelling a wide variety of biological data. The Kernel-based Orthogonal Projectio...
Max Bylesjö, Mattias Rantalainen, Jeremy K. N...
BMCBI
2006
85views more  BMCBI 2006»
15 years 6 months ago
Quality control for terms and definitions in ontologies and taxonomies
Background: Ontologies and taxonomies are among the most important computational resources for molecular biology and bioinformatics. A series of recent papers has shown that the G...
Jacob Köhler, Katherine Munn, Alexander R&uum...
CORR
2007
Springer
100views Education» more  CORR 2007»
15 years 5 months ago
Identifying statistical dependence in genomic sequences via mutual information estimates
Questions of understanding and quantifying the representation and amount of information in organisms have become a central part of biological research, as they potentially hold th...
H. M. Aktulga, I. Kontoyiannis, L. A. Lyznik, Luka...