The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions

Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use of small molecules as drugs continues to be a key driver in the development of molecular databases, computer-aided drug design software and collaborative platforms. The evolution of computational approaches is driven by the essential criteria that a drug molecule has to fulfill, from the affinity to targets to minimal side effects while having adequate absorption, distribution, metabolism, and excretion (ADME) properties. A combination of ligand- and structure-based drug development approaches is already used to obtain consensus predictions of small molecule activities and their off-target interactions. Further integration of these methods into easy-to-use workflows informed by systems biology could realize the full potential of available data in the drug discovery and reduce the attrition of drug candidates.Peer reviewe

Semi-isostatic densification of heat-treated radiata pine

Semi-isostatic densification is a useful method to increase the density and to improve the mechanical properties of fast-grown softwood species like radiata pine. A major disadvantage of this method is the almost complete recovery of the original dimensions when densified wood is exposed to moisture. Heat treatment improves the dimensional stability of wood and might be a useful method to prevent this shape-recovery after densification. However, no or only a limited effect on the shape-recovery was found when densified radiata pine was exposed to moisture

Refinement of a method to assess visual resolution and contrast sensitivity in the presence of ocular opacities

Refinement of a method to assess visual resolution and contrast sensitivity in the presence of ocular opacitie

Transpolar arc evolution and associated potential patterns

International audienceWe present two event studies encompassing detailed relationships between plasma convection, field-aligned current, auroral emission, and particle precipitation boundaries. We illustrate the influence of the Interplanetary Magnetic Field By component on theta aurora development by showing two events during which the theta originates on both the dawn and dusk sides of the auroral oval. Both theta then move across the entire polar region and become part of the opposite side of the auroral oval. Electric and magnetic field and precipitating particle data are provided by DMSP, while the Polar UVI instrument provides measurements of auroral emissions. Utilizing satellite data as inputs, the Royal Institute of Technology model provides the high-latitude ionospheric electrostatic potential pattern calculated at different times during the evolution of the theta aurora, resulting from a variety of field-aligned current configurations associated with the changing global aurora. Key words. Ionosphere (auroral ionosphere; electric fields and currents). Magnetospheric physics (magnetosphereionosphere interactions

PROPHECY—a database for high-resolution phenomics

The rapid recent evolution of the field phenomics—the genome-wide study of gene dispensability by quantitative analysis of phenotypes—has resulted in an increasing demand for new data analysis and visualization tools. Following the introduction of a novel approach for precise, genome-wide quantification of gene dispensability in Saccharomyces cerevisiae we here announce a public resource for mining, filtering and visualizing phenotypic data—the PROPHECY database. PROPHECY is designed to allow easy and flexible access to physiologically relevant quantitative data for the growth behaviour of mutant strains in the yeast deletion collection during conditions of environmental challenges. PROPHECY is publicly accessible at http://prophecy.lundberg.gu.se

Beyond the Washington Consensus Promoting Economic Growth and Minimizing the Threat of Violence in Latin America through Social Development

In this thesis, I examine the role social development plays in the successes and failures of Washington Consensustype neoliberal economic growth strategies throughout Latin America, as well as the effects of growth on levels of political violence in the region. I also analyze the role of targeted social spending in legitimizing the implementation of structural adjustment programs across all regime types. Finally, I use a discriminate analysis to divide the countries of Latin America and the Caribbean into two distinct geographic and economic subregions where separate development strategies can be optimized. I perform a Varimax rotated factor analysis on the universe of data and on two subregions to determine those prospective constraints most closely associated with growth potential throughout Latin America. Next, I perform an Ordinary Least Squares regression on 17 Latin American and Caribbean Countries (19702000) to determine the influence of targeted social spending on the implementation of structural adjustment programs and another to determine the influence of economic growth and inequality on levels of political violence in Latin America (19962008). Finally, I use a discriminate analysis to challenge the World Economic Forum classifications of several Latin American countries, therefore providing better targeted development strategy recommendations in each.http://archive.org/details/beyondwashington109456770Outstanding ThesisLieutenant, United States NavyApproved for public release; distribution is unlimited