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Author: Steve Scheiner
Publisher: Springer
ISBN: 3319141635
Category : Science
Languages : en
Pages : 532
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Book Description
Computational methods, and in particular quantum chemistry, have taken the lead in our growing understanding of noncovalent forces, as well as in their categorization. This volume describes the current state of the art in terms of what we now know, and the current questions requiring answers in the future. Topics range from very strong (ionic) to very weak (CH--π) interactions. In the intermediate regime, forces to be considered are H-bonds, particularly CH--O and OH--metal, halogen, chalcogen, pnicogen and tetrel bonds, aromatic stacking, dihydrogen bonds, and those involving radicals. Applications include drug development and predictions of crystal structure.
Author: Steve Scheiner
Publisher: Springer
ISBN: 3319141635
Category : Science
Languages : en
Pages : 532
Get Book
Book Description
Computational methods, and in particular quantum chemistry, have taken the lead in our growing understanding of noncovalent forces, as well as in their categorization. This volume describes the current state of the art in terms of what we now know, and the current questions requiring answers in the future. Topics range from very strong (ionic) to very weak (CH--π) interactions. In the intermediate regime, forces to be considered are H-bonds, particularly CH--O and OH--metal, halogen, chalcogen, pnicogen and tetrel bonds, aromatic stacking, dihydrogen bonds, and those involving radicals. Applications include drug development and predictions of crystal structure.
Author: Pavel Hobza
Publisher: Royal Society of Chemistry
ISBN: 1847558534
Category : Science
Languages : en
Pages : 239
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Book Description
Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.
Author: Abel M. Maharramov
Publisher: John Wiley & Sons
ISBN: 1119113857
Category : Science
Languages : en
Pages : 480
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Book Description
This book aims to overview the role of non-covalent interactions, such as hydrogen and halogen bonding, π-π, π-anion and electrostatic interactions, hydrophobic effects and van der Waals forces in the synthesis of organic and inorganic compounds, as well as in design of new crystals and function materials. The proposed book should allow to combine, in a systematic way, recent advances on the application of non-covalent interactions in synthesis and design of new compounds and functional materials with significance in Inorganic, Organic, Coordination, Organometallic, Pharmaceutical, Biological and Material Chemistries. Therefore, it should present a multi- and interdisciplinary character assuring a rather broad scope. We believe it will be of interest to a wide range of academic and research staff concerning the synthesis of new compounds, catalysis and materials. Each chapter will be written by authors who are well known experts in their respective fields.
Author: Andrey Karshikoff
Publisher: World Scientific Publishing Company
ISBN: 9789811228087
Category : Science
Languages : en
Pages : 446
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Book Description
"This interdisciplinary book unites comprehensive considerations of the physics of non-covalent interactions with the specificity of their biochemical application in protein sciences, succeeding where pure physics and biochemical textbooks have failed. This second edition includes new chapters on intrinsically disordered proteins, microcalorimetry of proteins, cold denaturation, thermodynamic stability and thermal adaptability of proteins"--
Author: Robert A. Copeland
Publisher: John Wiley & Sons
ISBN: 0471723266
Category : Science
Languages : en
Pages : 295
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Book Description
Vital information for discovering and optimizing new drugs "Understanding the data and the experimental details that support it has always been at the heart of good science and the assumption challenging process that leads from good science to drug discovery. This book helps medicinal chemists and pharmacologists to do exactly that in the realm of enzyme inhibitors." -Paul S. Anderson, PhD This publication provides readers with a thorough understanding of enzyme-inhibitor evaluation to assist them in their efforts to discover and optimize novel drug therapies. Key topics such as competitive, noncompetitive, and uncompetitive inhibition, slow binding, tight binding, and the use of Hill coefficients to study reaction stoichiometry are all presented. Examples of key concepts are presented with an emphasis on clinical relevance and practical applications. Targeted to medicinal chemists and pharmacologists, Evaluation of Enzyme Inhibitors in Drug Discovery focuses on the questions that they need to address: * What opportunities for inhibitor interactions with enzyme targets arise from consideration of the catalytic reaction mechanism? * How are inhibitors evaluated for potency, selectivity, and mode of action? * What are the advantages and disadvantages of specific inhibition modalities with respect to efficacy in vivo? * What information do medicinal chemists and pharmacologists need from their biochemistry and enzymology colleagues to effectively pursue lead optimization? Beginning with a discussion of the advantages of enzymes as targets for drug discovery, the publication then explores the reaction mechanisms of enzyme catalysis and the types of interactions that can occur between enzymes and inhibitory molecules that lend themselves to therapeutic use. Next are discussions of mechanistic issues that must be considered when designing enzyme assays for compound library screening and for lead optimization efforts. Finally, the publication delves into special forms of inhibition that are commonly encountered in drug discovery efforts, but can be easily overlooked or misinterpreted. This publication is designed to provide students with a solid foundation in enzymology and its role in drug discovery. Medicinal chemists and pharmacologists can refer to individual chapters as specific issues arise during the course of their ongoing drug discovery efforts.
Author: Jack Kyte
Publisher: Garland Science
ISBN: 1136843507
Category : Science
Languages : en
Pages : 1505
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Book Description
The second edition of Structure in Protein Chemistry showcases the latest developments and innovations in the field of protein structure analysis and prediction. The book begins by explaining how proteins are purified and describes methods for elucidating their sequences of amino acids and defining their posttranslational modifications. Comprehensive explanations of crystallography and of noncovalent forces-ionic interactions, hydrogen bonding, and the hydrophobic effect-act as a prelude to an exhaustive description of the atomic details of the structures of proteins. The resulting understanding of protein molecular structure forms the basis for discussions of the evolution of proteins, the symmetry of the oligomeric associations that produce them, and the chemical, mathematical, and physical basis of the techniques used to study their structures. The latter include image reconstruction, nuclear magnetic resonance spectroscopy, proton exchange, optical spectroscopy, electrophoresis, covalent cross-linking, chemical modification, immunochemistry, hydrodynamics, and the scattering of light, X-radiation, and neutrons. These procedures are applied to study the folding of polypeptides and the assembly of oligomers. Biological membranes and their proteins are also discussed. Structure in Protein Chemistry, Second Edition, bridges the gap between introductory biophysical chemistry courses and research literature. It serves as a comprehensive textbook for advanced undergraduates and graduate students in biochemistry, biophysics, and structural and molecular biology. Professionals engaged in chemical, biochemical, and molecular biological research will find it a useful reference.
Author: Elliot R. Bernstein
Publisher: Elsevier
ISBN: 0128175877
Category : Science
Languages : en
Pages : 310
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Book Description
The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.
Author: JL Jain et al.
Publisher: S. Chand Publishing
ISBN: 8121924537
Category : Science
Languages : en
Pages : 1230
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Book Description
In this latest Seventh Edition , five New Chapters (No. 28, 29, 33, 36 and 37) have been added to enhance the scope and utility of the book: three chapters pertain to Bioenergetics and Metabolism (Biosynthesis of Nucleotides, Degradation of Nucleotides, Mineral Metabolism) and two to Nutrition Biochemistry (Principles of Nutrition, Elements of Nutrition). In fact, all the previously-existing 35 chapters have been thoroughly revised, enlarged and updated in the light of recent advancements and the ongoing researches being conducted the world over.
Author: Viswanathan S. Saji
Publisher: CRC Press
ISBN: 1000516717
Category : Technology & Engineering
Languages : en
Pages : 608
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Book Description
Supramolecular chemistry, "the chemistry beyond the molecule", is a fascinating realm of modern science. The design of novel supramolecular structures, surfaces, and techniques are at the forefront of research in different application areas, including corrosion and biofouling protection. A team of international experts provide a comprehensive view of the applications and potential of supramolecular chemistry in corrosion and biofouling prevention. Chapter topics include types and fundamentals of supramolecules, supramolecular polymers and gels, host-guest inclusion compounds, organic-inorganic hybrid materials, metallo-assemblies, cyclodextrins, crown ethers, mesoporous silica and supramolecular structures of graphene and other advances. Additional Features include: Focuses on different aspects of supramolecular chemistry in corrosion and biofouling prevention. Comprehensively covers supramolecular interactions that can provide better corrosion and biofouling protection. Provides the latest developments in self-healing coatings. Explores recent research advancements in the suggested area. Includes case studies specific to industries. The different supramolecular approaches being investigated to control corrosion and biofouling are gathered in one well-organized reference to serve senior undergraduate and graduate students, research students, engineers, and researchers in the fields of corrosion science & engineering, biofouling, and protective coatings.
Author: C. Stan Tsai
Publisher: John Wiley & Sons
ISBN: 0470080116
Category : Science
Languages : en
Pages : 770
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Book Description
This book provides an integrated treatment of the structure and function of nucleic acids, proteins, and glycans, including thorough coverage of relevant computational biochemistry. The text begins with an introduction to the biomacromolecules, followed by discussion of methods of isolation and purification, physiochemical and biochemical properties, and structural characteristics. The next section of the book deals with sequence analysis, analysis of conformation using spectroscopy, chemical synthesis, and computational approaches. The following chapters discuss biomolecular interactions, enzyme action, gene transmission, signal transduction, and biomacromolecular informatics. The author concludes with presenting the latest findings in genomics, proteomics, glycomics, and biomacromolecular evolution. This text is an invaluable resource for research professionals wishing to move into genomics, proteomics, and glycomics research. It is also useful for students in biochemistry, molecular biology, bioengineering, biotechnology, and bioinformatics.
