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First-principles simulation, meaning density-functional theory calculations with plane waves and pseudopotentials, has become a prized technique in condensed-matter theory. Here I look at the basics of the suject, give a...

BACKGROUND: Gene set enrichment (GSE) analysis is a popular framework for condensing information from gene expression profiles into a pathway or signature summary. The strengths of this approach over single gene analysis...

Although genomewide RNA expression analysis has become a routine tool in biomedical research, extracting biological insight from such information remains a major challenge. Here, we describe a powerful analytical method ...

There is increasing evidence that genome-wide association (GWA) studies represent a powerful approach to the identification of genes involved in common human diseases. We describe a joint GWA study (using the Affymetrix ...

The ongoing revolution in high-throughput sequencing continues to democratize the ability of small groups of investigators to map the microbial component of the biosphere. In particular, the coevolution of new sequencing...

UNLABELLED: Research over the last few years has revealed significant haplotype structure in the human genome. The characterization of these patterns, particularly in the context of medical genetic association studies, i...

Infiltrating stromal and immune cells form the major fraction of normal cells in tumour tissue and not only perturb the tumour signal in molecular studies but also have an important role in cancer biology. Here we descri...

A critical component in the interpretation of systems-level studies is the inference of enriched biological pathways and protein complexes contained within OMICs datasets. Successful analysis requires the integration of ...

Multiwfn is a multifunctional program for wavefunction analysis. Its main functions are: (1) Calculating and visualizing real space function, such as electrostatic potential and electron localization function at point, i...

The lion's share of bacteria in various environments cannot be cloned in the laboratory and thus cannot be sequenced using existing technologies. A major goal of single-cell genomics is to complement gene-centric metagen...

Genome-wide association studies have identified thousands of loci for common diseases, but, for the majority of these, the mechanisms underlying disease susceptibility remain unknown. Most associated variants are not cor...

The cBio Cancer Genomics Portal (http://cbioportal.org) is an open-access resource for interactive exploration of multidimensional cancer genomics data sets, currently providing access to data from more than 5,000 tumor ...

Abstract Genetic variants that inactivate protein-coding genes are a powerful source of information about the phenotypic consequences of gene disruption: genes that are crucial for the function of an organism will be dep...

The prefrontal cortex has long been suspected to play an important role in cognitive control, in the ability to orchestrate thought and action in accordance with internal goals. Its neural basis, however, has remained a ...

Agents repesent a new paradigm for developing software applications. In spite of the interest of this particular way of looking at problems, there is considerable discrepancy on exactly what is an agent and which are the...

The aqueous solubility of drugs/drug candidates (Sw) is one of the crucial physicochemical parameters in drug discovery studies and any computational method to predict the solubility is highly in demand in the pharmaceut...

To research optimization possibilities in supercritical ORC processes for geothermal power production the Modular low-Temperature Circuit Karlsruhe (MoNiKa) was built at Campus North of the Karlsruhe Institute of Technol...

"The global energy crisis necessitates the development of sustainable energy sources, with nuclear fusion representing a significant long-term opportunity for the future. However, the licensing process for facilities lik...

The computational resources need by the scientific community to solve problems is beyond the current available infrastructure. Performance requirements are needed due constant research progress, new problems studies or d...

"Las medidas provenientes de la Teoría de la Información evaluadas en una distribución de probabilidades adecuada son una herramienta muy potente para caracterizar la complejidad de un sistema dinámico. En particular...

This thesis investigates and improves a film cooling configuration for a high-pressure turbine blade operating under transonic conditions. Using computational fluid dynamics validated with experimental data, several geom...

High entropy alloys (HEAs) are barely 12 years old. The field has stimulated new ideas and has inspired the exploration of the vast composition space offered by multi-principal element alloys (MPEAs). Here we present a c...

I use a new technique to derive a closed-form solution for the price of a European call option on an asset with stochastic volatility. The model allows arbitrary correlation between volatility and spotasset returns. I in...

Materias / palabras clave: computational literary studies, literary studies, cultural analytics, digital humanities, literature, culture; Language and Literature: Philology. Linguistics: Computational linguistics. Natural language processing; Gene...