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BMCBI
2010
123views more  BMCBI 2010»
14 years 11 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»
14 years 11 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»
14 years 11 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»
14 years 10 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»
14 years 10 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...