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Observing computational chemistry's proven value to the introduction of new medicines, Computational Medicinal Chemistry for Drug Discovery offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than 50 preeminent scientists, this book surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling. It also examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.
This book displays and dissects the career and design motives of graphic designer Joost Grootens. In a systematic fashion it charts the first 100 books designed by Grootens over the past ten years. In the first chapter, '10 years', Grootens uses timelines, lists and graphs to map the course of his career as a designer, the people he worked with and the places where the work took place. In '100 books', the designer dissects his book designs. He details the grids, formats, paper stocks, colours and typefaces, and charts the books' structures and compositions. '18,788 pages' shows at actual size a selection of spreads from books designed by Grootens, including the internationally acclaimed atlases. In the text 'I swear I use no art at all' Joost Grootens gives a personal account of making books and the ideas behind his designs.
The Southern Low Countries were among Europe’s core regions for the repression of sodomy during the late medieval period. As the first comprehensive study on sodomy in the Southern Low Countries, this book charts the prosecution of sodomy in some of the region’s leading cities, such as Bruges, Ghent and Antwerp, from 1400 to 1700 and explains the reasons behind local differences and variations in the intensity of prosecution over time. Through a critical examination of a range of sources, this study also considers how the urban fabric perceived sodomy and provides a broader interpretive framework for its meaning within the local culture.
Cities form an organic development of their own. Underground initiatives give also rise to gradual shifts on the surface. Portrait of Rotterdam and of its creative class, that launched a lot of fruitful initiatives. Cultural entrepreneurs founded theatre and dance groups to do something positive for the community. Artists choose Rotterdam because there is space to work. Survey of activities of the Rotterdam Council and of the permanent cultural battle between Amsterdam and Rotterdam. Rotterdam also is an attractive stage set for flashy television commercials, drama series and films. Review in: Boekman. 19(2007)71(zomer. 106-109).
This book offers a substantial reconsideration of early modern warfare and its relationship to the power of the state.
Much of chemistry, molecular biology, and drug design, are centered around the relationships between chemical structure and measured properties of compounds and polymers, such as viscosity, acidity, solubility, toxicity, enzyme binding, and membrane penetration. For any set of compounds, these relationships are by necessity complicated, particularly when the properties are of biological nature. To investigate and utilize such complicated relationships, henceforth abbreviated SAR for structure-activity relationships, and QSAR for quantitative SAR, we need a description of the variation in chemical structure of relevant compounds and biological targets, good measures of the biological properti...
Raised a Muslim but increasingly outraged by her religion's hostility towards women, Ayaan Hirsi Ali has now become one of today's most talked-about, admired and controversial political figures because of her desire to free women from an oppressive Muslim culture. Her bestselling collection of essays, THE CAGED VIRGIN, now available in English for the first time, brings together some of her most passionate and compelling writing on a wide range of issues concerning Islam. Drawing on her own first-hand experience and cultural background, she assesses the role of women in Islam both in practice and in theory; the rights of the individual; fanaticism; and Western policies towards immigrant communities. Provocative and compelling in equal measure, THE CAGED VIRGIN is an important addition to the ongoing debate about the 'clash of civilizations' and marks the debut of a writer and activist destined to be one of the key international figures of the early twenty-first century.
From a Bancroft Prize-winning historian, the "gripping" tale of a shipwrecked Spaniard who walked across America in the sixteenth century (Financial Times) In 1528, a mission set out from Spain to colonize Florida. But the expedition went horribly wrong: Delayed by a hurricane, knocked off course by a colossal error of navigation, and ultimately doomed by a disastrous decision to separate the men from their ships, the mission quickly became a desperate journey of survival. Of the four hundred men who had embarked on the voyage, only four survived-three Spaniards and an African slave. This tiny band endured a horrific march through Florida, a harrowing raft passage across the Louisiana coast,...
The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features: Includes first principle methods, density functional theory, as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses superatomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials, as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.