This book on X-ray Crystallography is a compilation of current trends in the use of X-ray crystallography and related structural determination methods in various fields. The methods covered here include single crystal small-molecule X-ray crystallography, macromolecular (protein) single crystal X-ray crystallography, and scattering and spectroscopic complimentary methods. The fields range from simple organic compounds, metal complexes to proteins, and also cover the meta-analyses of the database for weak interactions.

The precise knowledge of the structure of biological macromolecules forms the basis of understanding their function and their mechanism of action. It also lays the foundation for rational protein and drug design. The only method to obtain this knowledge is still crystallography. At present, the structures of about 400 proteins are known at or nearly at atomic proteins. However, only two of them are membrane proteins or complexes of the membrane proteins. The reasons for the difference is not the crystals of membrane proteins resists forming special problems when being analysed. The reason is that the membrane proteins resist into forming into well-ordered crystals. The intention of this book is to help to produce well-ordered crystals proteins and to provide guidelines, it is aimed at both biochemists and protein crystallographer‘s.

This book on X-ray Crystallography is a compilation of current trends in the use of X-ray crystallography and related structural determination methods in various fields. The methods covered here include single crystal small-molecule X-ray crystallography, macromolecular (protein) single crystal X-ray crystallography, and scattering and spectroscopic complimentary methods. The fields range from simple organic compounds, metal complexes to proteins, and also cover the meta-analyses of the database for weak interactions.

Reasoned and based on the difference between discovery and invention, according to the traditional conception, science can be distinguished between basic science and applied science. Nevertheless, we know that the sciences are inseparable. A century or more ago, Louis Pasteur said "there is no applied science, there are applications of science." With this assertion, he establishes the logic of complementarity between them. Science certainly goes beyond its own material application and brings us to issues that have intrigued humanity for a long time. During the many years that we have been working with techniques of material characterization, we observed that this complementarity was not always understood by the researchers. In line with the reasoning that the technique joined with science generates technology, the application of techniques that use x-ray and neutron sources seems to us of fundamental importance for the development of technology. In this way, we present in this book how the existing technology of material characterization can contribute to science and applied technology. The authors who contributed with this book sought to show the importance of applying the existing techniques in the development of their works.

Advances in Protein Molecular and Structural Biology Methods offers a complete overview of the latest tools and methods applicable to the study of proteins at the molecular and structural level. The book begins with sections exploring tools to optimize recombinant protein expression and biophysical techniques such as fluorescence spectroscopy, NMR, mass spectrometry, cryo-electron microscopy, and X-ray crystallography. It then moves towards computational approaches, considering structural bioinformatics, molecular dynamics simulations, and deep machine learning technologies. The book also covers methods applied to intrinsically disordered proteins (IDPs)followed by chapters on protein interaction networks, protein function, and protein design and engineering. It provides researchers with an extensive toolkit of methods and techniques to draw from when conducting their own experimental work, taking them from foundational concepts to practical application. - Presents a thorough overview of the latest and emerging methods and technologies for protein study - Explores biophysical techniques, including nuclear magnetic resonance, X-ray crystallography, and cryo-electron microscopy - Includes computational and machine learning methods - Features a section dedicated to tools and techniques specific to studying intrinsically disordered proteins

Chemical and Biochemical Approaches for the Study of Anesthetic Function, Part A, Volume 602 assembles new information on our understanding of anesthesia. This latest release in the series includes sections on how physical accuracy leads to biological relevance, best practices for simulating ligand-gated ion channels interacting with general anesthetics, computational approaches for studying voltage-gated ion channels modulation by general anesthetics, anesthetic parameterization, pharmacophore QSAR, QM, ONIOM, and kinetic modeling of electrophysiology data. - We have selected the primary experts to write about each approach - This provides one-stop shopping for all the means of addressing this complex question - Anesthesia is enormously important as almost everybody receives it at some point

Composites and nanocomposites are used in cases where long durability and strength of components are required; i.e., where high stress levels, erosion processes and multiphase environments are present, including the parts under collision and impact, the parts under rotating motion and erosion (like excavation drills in oil and gas wells). The first volume of this book aims to provide a guide for fabrication of new nanocomposites mainly based on carbon nanotubes and graphene. The main topics of this volume are: Application of Nano-powders for Formation of Metal Matrix of Composites, Conjugated Polymer Nanocomposites, Biopolymer Nanocomposites, Dental Nanocomposites, Graphene-based Nanocomposites for Electrochemical Energy Storage, Polymer/Filler Composites for Optical Diffuse Reflectors, Synthesis and Applications of LDH-Based Nanocomposites, Rubber—CNT Nanocomposites, Nanocomposite Fibers with Carbon Nanotubes, Fabrications of Graphene Based Nanocomposites for Electrochemical Sensing of Drug Molecules, Recent Advances in Graphene Metal Oxide Based Nanocomposites.

The landmark description by Delay and Deniker in 1952 of chlorpromazine's effect in psychosis suddenly eclipsed all other progress in psychopharmacology over the previous centuries. Since this report 35 years ago, a vast amount of research has contributed to the major advances in treatment that have improved the lives of millions of patients who would otherwise be incapacitated by their psychiatric disorders. This research has also led to valuable new insights into the causes of mental illnesses and the mechanisms of action of therapeutic drugs. However, there is much more work to be done. Thus, it is of great value periodically to assess the present state of knowledge as a first step to charting future directions. This symposium held in Denmark in 1987 covered many critical issues in psychopharmacology. The etiology, pathogenetic mechanisms, clinical aspects, and future directions of research in schizophrenia, affective disorders, anxiety, and dementia are addressed. Several of the problems with current therapeutic agents, such as side effects and limited efficacy, are also reviewed. Preclinical strategies with existing and new animal and computer models are discussed to point the way for developing better psychopharmacologic treatments of all psychiatric disorders.

By illustrating a wide range of specific applications in all major industries, this work broadens the coverage of X-ray diffraction beyond basic tenets, research and academic principles. The book serves as a guide to solving problems faced everyday in the laboratory, and offers a review of the current theory and practice of X-ray diffraction, major advances and potential uses.

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