Flux coupling analysis is a method to identify blocked and coupled reactions in a metabolic network at steady state. We present a new approach to flux coupling analysis, which uses...
We present a method for simultaneous dimension reduction and metastability analysis of high dimensional time series. The approach is based on the combination of hidden Markov model...
Illia Horenko, Johannes Schmidt-Ehrenberg, Christo...
. OSCAR3 is an open extensible system for the automated annotation of chemistry in scientific articles, which can process thousands of articles per hour. This XML annotation suppor...
Background: The computer-assisted detection of small molecules by mass spectrometry in biological samples provides a snapshot of thousands of peptides, protein fragments and prote...
Tim O. F. Conrad, Alexander Leichtle, Andre Hageh&...
Abstract. Molecular shapes play an important role in molecular interactions, e.g., between a protein and a ligand. The `outer' shape of a molecule can be approximated by its s...
The ability to locate promoters within a section of DNA is known to be a very difficult and very important task in DNA analysis. We document an approach that incorporates the conce...
Philip Uren, R. Mike Cameron-Jones, Arthur H. J. S...
Abstract. We present an improved adaptive approach for studying systems of ODEs affected by parameter variability and state space uncertainty. Our approach is based on a reformulat...
Abstract. This paper presents a method that uses gene ontologies, together with the paradigm of relational subgroup discovery, to help find description of groups of genes different...
A powerful new software concept to physiologically based pharmacokinetic (PBPK) modelling of drug disposition is presented. It links the inherent modular understanding in pharmacol...