Search results for " bioinformatics"
showing 10 items of 74 documents
ballaxy: web services for structural bioinformatics.
2014
Abstract Motivation: Web-based workflow systems have gained considerable momentum in sequence-oriented bioinformatics. In structural bioinformatics, however, such systems are still relatively rare; while commercial stand-alone workflow applications are common in the pharmaceutical industry, academic researchers often still rely on command-line scripting to glue individual tools together. Results: In this work, we address the problem of building a web-based system for workflows in structural bioinformatics. For the underlying molecular modelling engine, we opted for the BALL framework because of its extensive and well-tested functionality in the field of structural bioinformatics. The large …
The Power of Word-Frequency Based Alignment-Free Functions: a Comprehensive Large-Scale Experimental Analysis
2021
Abstract Motivation Alignment-free (AF) distance/similarity functions are a key tool for sequence analysis. Experimental studies on real datasets abound and, to some extent, there are also studies regarding their control of false positive rate (Type I error). However, assessment of their power, i.e. their ability to identify true similarity, has been limited to some members of the D2 family. The corresponding experimental studies have concentrated on short sequences, a scenario no longer adequate for current applications, where sequence lengths may vary considerably. Such a State of the Art is methodologically problematic, since information regarding a key feature such as power is either mi…
SKINK: a web server for string kernel based kink prediction in α-helices
2014
Abstract Motivation: The reasons for distortions from optimal α-helical geometry are widely unknown, but their influences on structural changes of proteins are significant. Hence, their prediction is a crucial problem in structural bioinformatics. Here, we present a new web server, called SKINK, for string kernel based kink prediction. Extending our previous study, we also annotate the most probable kink position in a given α-helix sequence. Availability and implementation: The SKINK web server is freely accessible at http://biows-inf.zdv.uni-mainz.de/skink. Moreover, SKINK is a module of the BALL software, also freely available at www.ballview.org. Contact: benny.kneissl@roche.com
kmcEx: memory-frugal and retrieval-efficient encoding of counted k-mers.
2018
Abstract Motivation K-mers along with their frequency have served as an elementary building block for error correction, repeat detection, multiple sequence alignment, genome assembly, etc., attracting intensive studies in k-mer counting. However, the output of k-mer counters itself is large; very often, it is too large to fit into main memory, leading to highly narrowed usability. Results We introduce a novel idea of encoding k-mers as well as their frequency, achieving good memory saving and retrieval efficiency. Specifically, we propose a Bloom filter-like data structure to encode counted k-mers by coupled-bit arrays—one for k-mer representation and the other for frequency encoding. Exper…
Misinterpretation risks of global stochastic optimisation of kinetic models revealed by multiple optimisation runs
2016
Abstract One of use cases for metabolic network optimisation of biotechnologically applied microorganisms is the in silico design of new strains with an improved distribution of metabolic fluxes. Global stochastic optimisation methods (genetic algorithms, evolutionary programing, particle swarm and others) can optimise complicated nonlinear kinetic models and are friendly for unexperienced user: they can return optimisation results with default method settings (population size, number of generations and others) and without adaptation of the model. Drawbacks of these methods (stochastic behaviour, undefined duration of optimisation, possible stagnation and no guaranty of reaching optima) cau…
Gradation of Fuzzy Preconcept Lattices
2021
Noticing certain limitations of concept lattices in the fuzzy context, especially in view of their practical applications, in this paper, we propose a more general approach based on what we call graded fuzzy preconcept lattices. We believe that this approach is more adequate for dealing with fuzzy information then the one based on fuzzy concept lattices. We consider two possible gradation methods of fuzzy preconcept lattice—an inner one, called D-gradation and an outer one, called M-gradation, study their properties, and illustrate by a series of examples, in particular, of practical nature.
Algorithmics for the Life Sciences
2013
The life sciences, in particular molecular biology and medicine, have wit- nessed fundamental progress since the discovery of the “the Double Helix”. A rele- vant part of such an incredible advancement in knowledge has been possible thanks to synergies with the mathematical sciences, on the one hand, and computer science, on the other. Here we review some of the most relevant aspects of this cooperation focusing on contributions given by the design, analysis and engineering of fast al- gorithms for the life sciences.
Peptide classification using optimal and information theoretic syntactic modeling
2010
Accepted version of an article published in the journal: Pattern Recognition. Published version available on Sciverse: http://dx.doi.org/10.1016/j.patcog.2010.05.022 We consider the problem of classifying peptides using the information residing in their syntactic representations. This problem, which has been studied for more than a decade, has typically been investigated using distance-based metrics that involve the edit operations required in the peptide comparisons. In this paper, we shall demonstrate that the Optimal and Information Theoretic (OIT) model of Oommen and Kashyap [22] applicable for syntactic pattern recognition can be used to tackle peptide classification problem. We advoca…
Whole mirror duplication-random loss model and pattern avoiding permutations
2010
International audience; In this paper we study the problem of the whole mirror duplication-random loss model in terms of pattern avoiding permutations. We prove that the class of permutations obtained with this model after a given number p of duplications of the identity is the class of permutations avoiding the alternating permutations of length p2+1. We also compute the number of duplications necessary and sufficient to obtain any permutation of length n. We provide two efficient algorithms to reconstitute a possible scenario of whole mirror duplications from identity to any permutation of length n. One of them uses the well-known binary reflected Gray code (Gray, 1953). Other relative mo…