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Physico-chemical and Computational Approaches to Drug Discovery
This title covers a wide range of topics relevant to the development of drugs. It provides a comprehensive description of the major methodological strategies available for rational drug discovery.
Protein-Ligand Interactions
Innovative and forward-looking, this volume focuses on recent achievements in this rapidly progressing field and looks at future potential for development. The first part provides a basic understanding of the factors governing protein-ligand interactions, followed by a comparison of key experimental methods (calorimetry, surface plasmon resonance, NMR) used in generating interaction data. The second half of the book is devoted to insilico methods of modeling and predicting molecular recognition and binding, ranging from first principles-based to approximate ones. Here, as elsewhere in the book, emphasis is placed on novel approaches and recent improvements to established methods. The final part looks at unresolved challenges, and the strategies to address them. With the content relevant for all drug classes and therapeutic fields, this is an inspiring and often-consulted guide to the complexity of protein-ligand interaction modeling and analysis for both novices and experts.
Artificial Evolution
This book constitutes the thoroughly refereed post-proceedings of the 6th International Conference on Artificial Evolution, EA 2003, held in Marseilles, France in October 2003. The 32 revised full papers presented were carefully selected and improved during two rounds of reviewing and revision. The papers are organized in topical sections on theoretical issues, algorithmic issues, applications, implementation issues, genetic programming, coevolution and agent systems, artificial life, and cellular automata.
Fragment-Based Drug Discovery and X-Ray Crystallography
Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey and Roderick E. Hubbard Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors, by Daniel F. Wyss, Yu-Sen Wang, Hugh L. Eaton, Corey Strickland, Johannes H. Voigt, Zhaoning Zhu and Andrew W. Stamford Combining Biophysical Screening and X-Ray Crystallography for Fragment-Based Drug Discovery, by Michael Hennig, Armin Ruf and Walter Huber Targeting Protein–Protein Interactions and Fragment-Based Drug Discovery, by Eugene Valkov, Tim Sharpe, May Marsh, Sandra Greive and Marko Hyvönen Fragment Screening and HIV Therapeutics, by Joseph D. Bauman, Disha Patel and Eddy Arnold Fragment-Based Approaches and Computer-Aided Drug Discovery, by Didier Rognan
Molecular Modeling in Drug Design
Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight original research and five review articles collected in this book provide a snapshot of the state-of-the-art of molecula...
Structure-Based Drug Discovery
Structure-based drug discovery is a collection of methods that exploits the ability to determine and analyse the three dimensional structure of biological molecules. These methods have been adopted and enhanced to improve the speed and quality of discovery of new drug candidates. After an introductory overview of the principles and application of structure-based methods in drug discovery, this book then describes the essential features of the various methods. Chapters on X-ray crystallography, NMR spectroscopy, and computational chemistry and molecular modelling describe how these particular techniques have been enhanced to support rational drug discovery, with discussions on developments su...
Logical Aspects of Computational Linguistics
This book constitutes the thoroughly refereed post-proceedings of the Second International Conference on Logical Aspects of Computational Linguistics, LACL '97, held in Nancy, France in September 1997. The 10 revised full papers presented were carefully selected during two rounds of reviewing. Also included are two comprehensive invited papers. Among the topics covered are type theory, various types of grammars, linear logic, parsing, type-directed natural language processing, proof-theoretic aspects, concatenation logics, and mathematical languages.
Història del Club Bàsquet Valls
La història del Club Bàsquet Valls l'han configurada, al llarg dels anys, una munió de persones vinculades a l'entitat: jugadors, directius, entrenadors i afeccionats. La suma dels seus esforços ha permès al club viure ara el moment més àlgid des de la seva fundació. Aquest llibre vol ser un homenatge a totes les persones que han protagonitzat la història del club. A més, la seva publicació coincideix amb el vint-i-cinquè aniversari de la creació de l'equip de fèmines i de la inauguració del pavelló Joana Ballart.
Protein Surface Recognition
A new perspective on the design of molecular therapeutics is emerging. This new strategy emphasizes the rational complementation of functionality along extended patches of a protein surface with the aim of inhibiting protein/protein interactions. The successful development of compounds able to inhibit these interactions offers a unique chance to selectively intervene in a large number of key cellular processes related to human disease. Protein Surface Recognition presents a detailed treatment of this strategy, with topics including: an extended survey of protein-protein interactions that are key players in human disease and biology and the potential for therapeutics derived from this new per...
Molecular Modeling and Prediction of Bioactivity
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...
