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Recurso libre

Announcing Computational and Structural Biotechnology Journal: not just another open-access journal
Panagiotou, Gianni; Technical University of Denmark

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Editorial
Enlaces:	Descripción completa.
Fecha:	2012-02-10
Recurso:	Computacional and structural biotechnology journal

Recurso libre

Analytical Techniques & Applications of Metabolomics in Systems Medicine and Systems Biotechnology
Villas-Boas, Silas G; The University of Auckland

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Editorial
Enlaces:	-
Fecha:	2013-02-18
Recurso:	Computacional and structural biotechnology journal

Recurso libre

Metabolomics in the identification of biomarkers of dietary intake
O’Gorman, Aoife - Gibbons, Helena - Brennan, Lorraine

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Traditional methods for assessing dietary exposure can be unreliable, with under reporting one of the main problems. In an attempt to overcome such problems there is increasing interest in identifying biomarkers of dietary intake to provide a more accurate measurement.…
Fecha:	2013-02-07
Recurso:	Computacional and structural biotechnology journal

Recurso libre

Conformational Sampling in Template-Free Protein Loop Structure Modeling: An Overview
Li, Yaohang; Old Dominion University

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a…
Fecha:	2013-02-25
Recurso:	Computacional and structural biotechnology journal

Recurso libre

Rational approaches for engineering carbon-carbon bond forming enzymes
Baker, Perrin - Seah, Stephen; University of Guelph

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Enzymes that catalyze carbon-carbon bond formation can be exploited as biocatalyst for synthetic organic chemistry. However, natural enzymes frequently do not possess the required properties or specificities to catalyze industrially useful transformations. This mini-review describes recent work using knowledge-guided site-specific…
Fecha:	2012-10-02
Recurso:	Computacional and structural biotechnology journal

Recurso libre

Comparison and Enumeration of Chemical Graphs
Akutsu, Tatsuya; Kyoto University - Nagamochi, Hiroshi; Kyoto University

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Chemical compounds are usually represented as graph structured data in computers. In this review article, we overview several graph classes relevant to chemical compounds and the computational complexities of several fundamental problems for these graph classes. In particular, we consider…
Fecha:	2013-02-26
Recurso:	Computacional and structural biotechnology journal

Recurso libre

Mathematical and Computational Modelling of Ribosomal Movement and Protein Synthesis: an overview.
von der Haar, Tobias; University of Kent

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Translation or protein synthesis consists of a complex system of chemical reactions, which ultimately result in decoding of the mRNA and the production of a protein. The complexity of this reaction system makes it difficult to quantitatively connect its input…
Fecha:	2012-02-20
Recurso:	Computacional and structural biotechnology journal

Recurso libre

Untargeted metabolomics: an emerging approach to determine the composition of herbal products
Commisso, Mauro; University of Verona - Strazzer, Pamela - Toffali, Ketti - Stocchero, Matteo - Guzzo, Flavia

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Natural remedies, such as those based on traditional Chinese medicines, have become more popular also in western countries over the last 10 years. The composition of these herbal products is largely unknown and difficult to determine. Moreover, since plants respond…
Fecha:	2013-02-28
Recurso:	Computacional and structural biotechnology journal

Recurso libre

Capturing RNA-dependent pathways for cryo-EM analysis
Tanner, Justin R; Virginia Tech Carilion School of Medicine and Research Institute - Degen, Katherine; University of Virginia - Gilmore, Brian L; Virginia Tech Carilion School of Medicine and Research Institute - Kelly, Deborah F; Virginia Tech Carilion School of Medicine and Research Institute

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Cryo-Electron Microscopy (EM) is a powerful technique to visualize biological processes at nanometer resolution. Structural studies of macromolecular assemblies are typically performed on individual complexes that are biochemically isolated from their cellular context. Here we present a molecular imaging platform…
Fecha:	2012-02-23
Recurso:	Computacional and structural biotechnology journal

Recurso libre

10.

Error Analysis and Propagation in Metabolomics Data Analysis
Moseley, Hunter N B; University of Louisville

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Error analysis plays a fundamental role in describing the uncertainty in experimental results. It has several fundamental uses in metabolomics including experimental design, quality control of experiments, the selection of appropriate statistical methods, and the determination of uncertainty in results. …
Fecha:	2013-02-19
Recurso:	Computacional and structural biotechnology journal

Recurso libre

11.

Fusing similarity rankings in ligand-based virtual screening
Willett, Peter; University of Sheffield

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Data fusion is the name given to a range of methods for combining multiple sources of evidence. This mini-review summarizes the use of one such class of methods for combining the rankings obtained when similarity searching is used for ligand-based…
Fecha:	2013-02-24
Recurso:	Computacional and structural biotechnology journal

Recurso libre

12.

A Rough Guide to Metabolite Identification Using High Resolution Liquid Chromatography Mass Spectrometry in Metabolomic Profiling in Metazoans
Watson, David G; Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161, Cathedral Street, Glasgow G4 0RE

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Compound identification in mass spectrometry based metabolomics can be a problem but sometimes the problem seems to be presented in an over complicated way. The current review focuses on metazoans where the range of metabolites is more restricted than for…
Fecha:	2013-02-15
Recurso:	Computacional and structural biotechnology journal

Recurso libre

13.

LC-MS metabolomics from study design to data-analysis – using a versatile pathogen as a test case
Berg, Maya; Institute of Tropical Medicine Antwerp - Vanaerschot, Manu; Institute of Tropical Medicine Antwerp - Jankevics, Andris; University of Glasgow and University of Groningen - Cuypers, Bart; Institute of Tropical Medicine Antwerp - Breitling, Rainer; University of Manchester - Dujardin, Jean-Claude; Institute of Tropical Medicine Antwerp

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Thanks to significant improvements in LC-MS technology, metabolomics is increasingly used as a tool to discriminate the responses of organisms to various stimuli or drugs. In this minireview we discuss all aspects of the LC-MS metabolomics pipeline, using a complex…
Fecha:	2013-02-06
Recurso:	Computacional and structural biotechnology journal

Recurso libre

14.

Engineering Microbes for Plant Polyketide Biosynthesis
Lussier, Francois-Xavier - Colatriano, David - Wiltshire, Zach - Page, Jonathan E. - Martin, Vincent J. J.

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Polyketides are an important group of secondary metabolites, many of which have important industrial applications, including in the food and pharmaceutical industries. Polyketides are synthesized from one of three classes of enzymes differentiated by their biochemical features and product structure:…
Fecha:	2013-02-22
Recurso:	Computacional and structural biotechnology journal

Recurso libre

15.

Computational Tools for the Secondary Analysis of Metabolomics Experiments
Booth, Sean Cameron; Department of Biological Sciences University of Calgary - Weljie, Aalim; University of Pennsylvania - Turner, Raymond Joseph; University of Calgary

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Metabolomics experiments have become commonplace in a wide variety of disciplines. By identifying and quantifying metabolites researchers can achieve a systems level understanding of metabolism. These studies produce vast swaths of data which are often only lightly interpreted due to…
Fecha:	2013-02-06
Recurso:	Computacional and structural biotechnology journal

Recurso libre

16.

Multivariate linear QSPR/QSAR models: Rigorous evaluation of variable selection for PLS
Varmuza, Kurt; Vienna University of Technology, Laboratory for Chemometrics - Filzmoser, Peter; Vienna University of Technology, Department of Statistics an Probability Theory - Dehmer, Matthias; UMIT - The Health and Lifesciences University, Institute for Bioinformatics and Translational Research, Hall in Tyrol

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	Basic chemometric methods for making empirical regression models for QSPR/QSAR are briefly described from a user's point of view. Emphasis is given to PLS regression, simple variable selection and a careful and cautious evaluation of the performance of PLS models…
Fecha:	2013-03-02
Recurso:	Computacional and structural biotechnology journal

Recurso libre

17.

Current progress in Structure-Based Rational Drug Design marks a new mindset in drug discovery
Lounnas, Valère; CMBI, NCMLS Radboud University, Nijmegen Medical Centre, Geert Grooteplein 26-28, 6525 GA Nijmegen, The Netherlands - Ritschel, Tina; Computational Drug Discovery, CMBI, NCMLS, Radboud University Medical Centre, Geert Grooteplein 26-28, 6525 GA Nijmegen, The Netherlands - Kelder, Jan; c Beethovengaarde 97, 5344 CD Oss, The Netherlands - McGuire, Ross; BioAxis Research BV, Oss Life Sciences Park, Molenstraat 110, 5342 CC Oss, The Netherlands - Bywater, Robert Paul; Magdalen College, High Street, Oxford OX1 4AU, England - Foloppe, Nicolas; 51 Natal Road, Cambridge, United Kingdom

Formato:	info:eu-repo/semantics/article, info:eu-repo/semantics/publishedVersion, Peer-reviewed Article
Enlaces:	The past decade has witnessed a paradigm shift in preclinical drug discovery with structure-based drug design (SBDD) making a comeback while high-throughput screening (HTS) methods have continued to generate disappointing results. There is a deficit of information between identified hits…
Fecha:	2013-04-02
Recurso:	Computacional and structural biotechnology journal