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Materias / palabras clave: Ingeniería; Termodinámica; Engineering; Thermodynamic

The dismantling of national sovereignty and social integrity, the deliberate and systematic violation of any and all boundaries, and the systematic violation of the integrity of organisms are the hallmarks of globalizati...

Materias / palabras clave: Mesoporous material; Microporous material; Aluminosilicate; Materials science; Chemical engineering; Calcination; Molecular sieve; Mesophase; Pulmonary surfactant; Intercalation (chemistry); Sorption; Amorphous solid

Macromolecular X-ray crystallography is routinely applied to understand biological processes at a molecular level. However, significant time and effort are still required to solve and complete many of these structures be...

We describe the development, current features, and some directions for future development of the Amber package of computer programs. This package evolved from a program that was constructed in the late 1970s to do Assist...

Materias / palabras clave: Redundancy (engineering); Gene; Set (abstract data type); Database; Computer science; Computational biology; Ensembl; Biology; Data mining; Genomics; Genetics; Genome

The chemistry of the coordination polymers has in recent years advanced extensively, affording various architectures, which are constructed from a variety of molecular building blocks with different interactions between ...

Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesos...

New software, OLEX2 , has been developed for the determination, visualization and analysis of molecular crystal structures. The software has a portable mouse-driven workflow-oriented and fully comprehensive graphical use...

Part 1 Liquid crystals - main types and properties: introduction - what is a liquid crystal? the building blocks nematics and cholesterics smectics columnar phases more on long-, quasi-long and short-range order remarkab...

Recent extensions of the DMol3 local orbital density functional method for band structure calculations of insulating and metallic solids are described. Furthermore the method for calculating semilocal pseudopotential mat...

Multilayer films of organic compounds on solid surfaces have been studied for more than 60 years because they allow fabrication of multicomposite molecular assemblies of tailored architecture. However, both the Langmuir-...

UNLABELLED: The two main functions of bioinformatics are the organization and analysis of biological data using computational resources. Geneious Basic has been designed to be an easy-to-use and flexible desktop software...

Laboratory investigations show that rates of adsorption of persistent organic compounds on granular carbon are quite low. Intraparticle diffusion of solute appears to control the rate of uptake, thus the rate is partiall...

We report a method to form multifunctional polymer coatings through simple dip-coating of objects in an aqueous solution of dopamine. Inspired by the composition of adhesive proteins in mussels, we used dopamine self-pol...

Designing PCR and sequencing primers are essential activities for molecular biologists around the world. This chapter assumes acquaintance with the principles and practice of PCR, as outlined in, for example, refs. 1–4...

Materias / palabras clave: Alignment-free sequence analysis; Computer science; Smith–Waterman algorithm; Sequence (biology); Multiple sequence alignment; Similarity (geometry); Measure (data warehouse); Flexibility (engineering); Data mining; Se...

Materias / palabras clave: Computer science; Software; Java; Big data; Visualization; Variety (cybernetics); Interface (matter); Application programming interface; Biological data; Data visualization; Data type; Software engineering

Many underlying relationships among data in several areas of science and engineering, e.g., computer vision, molecular chemistry, molecular biology, pattern recognition, and data mining, can be represented in terms of gr...

The Open Visualization Tool (OVITO) is a new 3D visualization software designed for post-processing atomistic data obtained from molecular dynamics or Monte Carlo simulations. Unique analysis, editing and animations func...

Materias / palabras clave: process engineering, artificial intelligence solutions, product engineering, materials engineering, molecular engineering, energy and environmental engineering; Science: Chemistry

Materias / palabras clave: biotechnology, enviromental biology, food biology, molecular biology, construction, mechanics of materials; Technology: Chemical technology: Biotechnology

Materias / palabras clave: chemistry, molecular engineering, nanotechnology, precision chemistry, synthesis, manufacturing; Science: Chemistry

Materias / palabras clave: biotechnology, neuroscience, molecular medicine, biomedical engineering; Medicine: Medicine (General): Medical technology