Classification and prediction of protein structure has been a central research theme in structural bioinformatics. Due to the imbalanced distribution of proteins over multi SCOP classification, most discriminative machine learning suffers the well-known ‘False Positives’ problem when learning over these types of problems. We have devised eKISS, an ensemble machine learning specifically designed...

Geometric objects are often represented approximately in terms of a finite set of points in three-dimensional Euclidean space. In this paper, we extend this representation to what we call labeled point clouds. A labeled point cloud is a finite set of points, where each point is not only associated with a position in three-dimensional space, but also with a discrete class label that represents a...

In this Note we present a new software library for structural bioinformatics. The library contains programs, computing sequence- and profile-based alignments and a variety of structural calculations with user-friendly handling of various data formats. The software organization is very flexible. Algorithms are written in Java language and may be used by Java programs. Moreover the modules can be...

Optimisation problems pervade structural bioinformatics. In this review, we describe recent work addressing a selection of bioinformatics challenges. We begin with a discussion of research into protein structure comparison, and highlight the utility of Kolmogorov complexity as a measure of structural similarity. We then turn to research into de novo protein structure prediction, in which struct...

Editorial BIOINFORMATICS IN STRUCTURAL GENOMICS The goals of structural genomics initiatives are to significantly expand the structural 'coverage' of sequence space. A number of specific objectives have been included within this broad definition. These include, the determination of the detailed three-dimensional structure for at least one representative of each protein fold that occurs in natur...

There are many challenges in the field of public health sciences. Rational decisions are required in order to treat different diseases, gain knowledge and wealth regarding research, and produce biological or synthetic products. Various advances in the basic laboratory science, computer science, and the engineering of biological production processes can help solve the occurring problems. Bioinfo...

Motivation: The advent of new genomic technologies has resulted in the production of massive data sets. Analyses of these data require new statistical and computational methods. In this article, we propose one such method that is useful in selecting explanatory variables for prediction of a binary response. Although this problem has recently been addressed using penalized likelihood methods, we...

The amount of bioinformatics services available over the web has dramatically increased over the last years. Generalist on-line catalogs help identifying a particular service in such a pool. Unfortunately, most of the time, querying those catalogs is only based on a textual search for a particular datatype or a domain of interest. In this context, we have developed the Structural Bioinformatics...

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims to give an introduction into Structural Bioinformatics, which is where the previous topics meet to explore three dimensional protein structures through comput...