SwissTargetPrediction: a web server for target prediction of bioactive small molecules.

Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular targets to modulate their activity, which in turn results in the observed phenotypic effects. For this reason, mapping the targets of bioactive small molecules is a key step toward unraveling the molecular mechanisms underlying their bioactivity and predicting potential side effects or cross-reactivity. Recently, large datasets of protein-small molecule interactions have become available, providing a unique source of information for the development of knowledge-based approaches to computationally identify new targets for uncharacterized molecules or secondary targets for known molecules. Here, we introduce SwissTargetPrediction, a web server to accurately predict the targets of bioactive molecules based on a combination of 2D and 3D similarity measures with known ligands. Predictions can be carried out in five different organisms, and mapping predictions by homology within and between different species is enabled for close paralogs and orthologs. SwissTargetPrediction is accessible free of charge and without login requirement at http://www.swisstargetprediction.ch.

Swiss EMBnet node web server.

EMBnet is a consortium of collaborating bioinformatics groups located mainly within Europe (http://www.embnet.org). Each member country is represented by a 'node', a group responsible for the maintenance of local services for their users (e.g. education, training, software, database distribution, technical support, helpdesk). Among these services a web portal with links and access to locally developed and maintained software is essential and different for each node. Our web portal targets biomedical scientists in Switzerland and elsewhere, offering them access to a collection of important sequence analysis tools mirrored from other sites or developed locally. We describe here the Swiss EMBnet node web site (http://www.ch.embnet.org), which presents a number of original services not available anywhere else.

The M-Coffee web server: a meta-method for computing multiple sequence alignments by combining alternative alignment methods.

The M-Coffee server is a web server that makes it possible to compute multiple sequence alignments (MSAs) by running several MSA methods and combining their output into one single model. This allows the user to simultaneously run all his methods of choice without having to arbitrarily choose one of them. The MSA is delivered along with a local estimation of its consistency with the individual MSAs it was derived from. The computation of the consensus multiple alignment is carried out using a special mode of the T-Coffee package [Notredame, Higgins and Heringa (T-Coffee: a novel method for fast and accurate multiple sequence alignment. J. Mol. Biol. 2000; 302: 205-217); Wallace, O'Sullivan, Higgins and Notredame (M-Coffee: combining multiple sequence alignment methods with T-Coffee. Nucleic Acids Res. 2006; 34: 1692-1699)] Given a set of sequences (DNA or proteins) in FASTA format, M-Coffee delivers a multiple alignment in the most common formats. M-Coffee is a freeware open source package distributed under a GPL license and it is available either as a standalone package or as a web service from www.tcoffee.org.

T-Coffee: a web server for the multiple sequence alignment of protein and RNA sequences using structural information and homology extension.

This article introduces a new interface for T-Coffee, a consistency-based multiple sequence alignment program. This interface provides an easy and intuitive access to the most popular functionality of the package. These include the default T-Coffee mode for protein and nucleic acid sequences, the M-Coffee mode that allows combining the output of any other aligners, and template-based modes of T-Coffee that deliver high accuracy alignments while using structural or homology derived templates. These three available template modes are Expresso for the alignment of protein with a known 3D-Structure, R-Coffee to align RNA sequences with conserved secondary structures and PSI-Coffee to accurately align distantly related sequences using homology extension. The new server benefits from recent improvements of the T-Coffee algorithm and can align up to 150 sequences as long as 10,000 residues and is available from both http://www.tcoffee.org and its main mirror http://tcoffee.crg.cat.

T-Coffee: a web server for the multiple sequence alignment of protein and RNA sequences using structural information and homology extension

This article introduces a new interface for T-Coffee, a consistency-based multiple sequence alignment program. This interface provides an easy and intuitive access to the most popular functionality of the package. These include the default T-Coffee mode for protein and nucleic acid sequences, the M-Coffee mode that allows combining the output of any other aligners, and template-based modes of T-Coffee that deliver high accuracy alignments while using structural or homology derived templates. These three available template modes are Expresso for the alignment of protein with a known 3D-Structure, R-Coffee to align RNA sequences with conserved secondary structures and PSI-Coffee to accurately align distantly related sequences using homology extension. The new server benefits from recent improvements of the T-Coffee algorithm and can align up to 150 sequences as long as 10 000 residues and is available from both http://www.tcoffee.org and its main mirror http://tcoffee.crg.cat.

Parmodel: a web server for automated comparative modeling of proteins

Parmodel is a web server for automated comparative modeling and evaluation of protein structures. The aim of this tool is to help inexperienced users to perform modeling, assessment, visualization, and optimization of protein models as well as crystallographers to evaluate structures solved experimentally. It is subdivided in four modules: Parmodel Modeling, Parmodel Assessment, Parmodel Visualization, and Parmodel Optimization. The main module is the Parmodel Modeling that allows the building of several models ford a same protein in a reduced time, through the distribution of modeling processes on a Beowulf cluster. Parmodel automates and integrates the main softwares used in comparative modeling as MODELLER, Whatcheck, Procheck, Raster3D, Molscript, and Gromacs. This web server is freely accessible at http://www.biocristalografia.df.ibilce.unesp.br/tools/parmodel. (C) 2004 Elsevier B.V. All rights reserved.

Scalable Web Server Clustering Technologies

The exponential growth of the Internet, coupled with the increasing popularity of dynamically generated content on the World Wide Web, has created the need for more and faster Web servers capable of serving the over 100 million Internet users. Server clustering has emerged as a promising technique to build scalable Web servers. In this article we examine the seminal work, early products, and a sample of contemporary commercial offerings in the field of transparent Web server clustering. We broadly classify transparent server clustering into three categories.

Tuning compilations by multi-objective optimization: Application to Apache web server

Modern compilers present a great and ever increasing number of options which can modify the features and behavior of a compiled program. Many of these options are often wasted due to the required comprehensive knowledge about both the underlying architecture and the internal processes of the compiler. In this context, it is usual, not having a single design goal but a more complex set of objectives. In addition, the dependencies between different goals are difficult to be a priori inferred. This paper proposes a strategy for tuning the compilation of any given application. This is accomplished by using an automatic variation of the compilation options by means of multi-objective optimization and evolutionary computation commanded by the NSGA-II algorithm. This allows finding compilation options that simultaneously optimize different objectives. The advantages of our proposal are illustrated by means of a case study based on the well-known Apache web server. Our strategy has demonstrated an ability to find improvements up to 7.5% and up to 27% in context switches and L2 cache misses, respectively, and also discovers the most important bottlenecks involved in the application performance.

LIPPRED:a web server for accurate prediction of lipoprotein signal sequences and cleavage sites

Bacterial lipoproteins have many important functions and represent a class of possible vaccine candidates. The prediction of lipoproteins from sequence is thus an important task for computational vaccinology. Naïve-Bayesian networks were trained to identify SpaseII cleavage sites and their preceding signal sequences using a set of 199 distinct lipoprotein sequences. A comprehensive range of sequence models was used to identify the best model for lipoprotein signal sequences. The best performing sequence model was found to be 10-residues in length, including the conserved cysteine lipid attachment site and the nine residues prior to it. The sensitivity of prediction for LipPred was 0.979, while the specificity was 0.742. Here, we describe LipPred, a web server for lipoprotein prediction; available at the URL: http://www.jenner.ac.uk/LipPred/. LipPred is the most accurate method available for the detection of SpaseIIcleaved lipoprotein signal sequences and the prediction of their cleavage sites.

Studie zur Web-Server-Sicherheit von Unternehmen aus Hannover und Umgebung

Der vorliegende Artikel beschreibt die Ergebnisse einer Studie zur Sicherheit von Web-Servern niedersächsischer Unternehmen aus dem Raum Hannover. Untersucht wurden vier Unternehmensgruppen, die sich aus Mitgliedern von Unternehmensverbänden und berufsständischen Körperschaften zusammensetzen. Insgesamt werden mehr als 1800 Unternehmen betrachtet. Als Indikator für die IT-Sicherheit wurden vier Sicherheitslücken herangezogen, die leicht überprüft werden können, ohne die Web-Server in ihrem Betrieb zu beeinträchtigen. Die Ergebnisse sind ernüchternd: Viele Unternehmen setzen keine Verschlüsselung ein oder die Web-Server-Software ist nicht auf dem neusten Stand. Bei ungefähr jedem dritten Unternehmen, welches Verschlüsselung einsetzt, enthält die Software seit mehr als einem Jahr bekannte Schwachstellen und sollte umgehend aktualisiert werden. Dies zeigt, dass das IT-Sicherheitsmanagement in vielen Unternehmen mangelhaft ist.

Bioinformática: identificar genes en una interfaz gráfica vía web para la comparación de genomas

Este trabajo desarrolla el proceso de diseño e implementación de una interfaz web que permite la exploración en detalle de las relaciones entre genomas completos. La interfaz permite la comparación simultánea de nueve genomas, representando en cada gráfica las relaciones entre cada par de genomas junto los genes identificados de cada uno de ellos. Es capaz de trabajar con genomas del dominio Eukaryota y se adapta a la capacidad de cómputo de la máquina cliente. La información representada son MUMs (Maximal Unique Matching, secuencia máxima y única encontrada en ambos genomas) y SuperMUMs (agrupación de MUMs mediante Approximate String Matching). Los datos son previamente calculados y accesibles desde un servidor web.

Transmisión de datos PDA - servidor web

En aquest projecte es visualitza la trajectòria d'un vehicle (aeri o terrestre) en una pàgina web. Per això es disposa d'una PDA (Personal Digital Assistant), en la qual es té informació actualitzada de la posició i de la velocitat d’aquest vehicle. Aquestes dades són obtingudes d'un sistema que combina la navegació inercial i el GPS (Global Position System), els quals estimen de manera precisa la trajectòria del vehicle. A fi d'oferir una visualització en temps real, versàtil, accessible i amigable a l'usuari de la trajectòria del vehicle, s'ha desenvolupat un sistema de visualització on-line que proporciona un millor rendiment en comparació amb la qual es venia fent en la PDA. Per a dur-lo a terme s'implementa una interfície d'usuari en la PDA que ens permet transmetre aquesta informació via WIFI a la pàgina web, d'igual forma al servidor web es crea una interfície que interpreta i gestiona aquestes dades per a posteriorment ser graficats a Google Maps.

Bioinformática: interfaz web para estudiar el efecto de diferentes condiciones sobre la expresión de los genes

El trabajo realizado se divide en dos bloques bien diferenciados, ambos relacionados con el análisis de microarrays. El primer bloque consiste en agrupar las condiciones muestrales de todos los genes en grupos o clústers. Estas agrupaciones se obtienen al aplicar directamente sobre la microarray los siguientes algoritmos de agrupación: SOM,PAM,SOTA,HC y al aplicar sobre la microarray escalada con PC y MDS los siguientes algoritmos: SOM,PAM,SOTA,HC y K-MEANS. El segundo bloque consiste en realizar una búsqueda de genes basada en los intervalos de confianza de cada clúster de la agrupación activa. Las condiciones de búsqueda ajustadas por el usuario se validan para cada clúster respecto el valor basal 0 y respecto el resto de clústers, para estas validaciones se usan los intervalos de confianza. Estos dos bloques se integran en una aplicación web ya existente, el applet PCOPGene, alojada en el servidor: http://revolutionresearch.uab.es.