Molecular Interactions

Author : David A. Micha
Publisher : John Wiley & Sons
ISBN 13 : 0470290749
Total Pages : 400 pages
Book Rating : 4.43/5 ( download)

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Download or read book Molecular Interactions written by David A. Micha and published by John Wiley & Sons. This book was released on 2020-01-02 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: A modern, comprehensive text and reference describing intermolecular forces, this book begins with coverage of the concepts and methods for simpler systems, then moves on to more advanced subjects for complex systems – emphasizing concepts and methods used in calculations with realistic models and compared with empirical data. Contains applications to many physical systems and worked examples Proceeds from introductory material to advanced modern treatments Has relevance for new materials, biological phenomena, and energy and fuels production

Author : Steve Scheiner
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 394 pages
Book Rating : 4.62/5 ( download)

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Download or read book Molecular Interactions written by Steve Scheiner and published by John Wiley & Sons. This book was released on 1997-05-05 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt: The types of forces that are involved in the interactions between molecules vary across a wide spectrum from very strong, as in ion-ion interactions, to the much weaker forces that are involved in van der Waals complexes. This book provides an introduction to the theoretical methods that are used to analyze each sort of force and provide the reader with a guide to the most appropriate method for a given problem. Examples are used to illustrate the points, and the pitfalls that a novice might encounter are outlined. These examples range from very small complexes to much larger systems with biological relevance.

Author : Viktor Gutmann
Publisher : Springer
ISBN 13 : 9781461588276
Total Pages : 279 pages
Book Rating : 4.78/5 ( download)

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Download or read book The Donor-Acceptor Approach to Molecular Interactions written by Viktor Gutmann and published by Springer. This book was released on 2012-01-28 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent developments in various areas of chemistry have been decisively influenced by the principles of structure and mechanism and by the ideas of coordination chemistry, in particular by the donor-acceptor approach, A unified view of almost all kinds of molecular forces is provided by quantum mechanics, and for practical purposes have been classified according to model assumptions, namely, dispersion, polarization, electrostatic, and short-range forces. The latter are divided into two- and three-center covalent chemical bonds, metallic bonds, and exchange-repulsion forces. This approach allows statements of principle and systematic analysis. However, quantitative predictions on concrete large systems are virtually impossible, and there are no general rules that account for structural and chemical changes due to intermolecular interactions. Chemists are therefore left with qualitative descriptions in which the changes in electron densities are considered. Such models as the MO theory or the resonance concept unrealistically assume that the nuclei remain in fixed positions. Further difficulties are encountered in the attempted description on the "nature" of the chemical bond, e.g., the forces involved. In order to avoid these difficulties an extension of the donor-acceptor concept, characterized by the comparison between equilibrium structures in different molecular environments, will be presented in this book. In this way, changes in the positions of the nuclei can be taken into account and the question of the nature of the molecular forces is no longer important.

Author : Hans-Joachim Böhm
Publisher : John Wiley & Sons
ISBN 13 : 3527605517
Total Pages : 262 pages
Book Rating : 4.14/5 ( download)

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Download or read book Protein-Ligand Interactions written by Hans-Joachim Böhm and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences. The basic aspects of ligand-protein interaction may be summarized under the term 'molecular recognition' and concern the specificity as well as stability of ligand binding. Molecular recognition is thus a central topic in the development of active substances, since stability and specificity determine whether a substance can be used as a drug. Nowadays, computer-aided prediction and intelligent molecular design make a large contribution to the constant search for, e. g., improved enzyme inhibitors, and new concepts such as that of pharmacophores are being developed. An up-to-date presentation of an eternally young topic, this book is an indispensable information source for chemists, biochemists and pharmacologists dealing with the binding of ligands to proteins.

Author : Elliot R. Bernstein
Publisher : Elsevier
ISBN 13 : 0128175877
Total Pages : 310 pages
Book Rating : 4.73/5 ( download)

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Download or read book Intra- and Intermolecular Interactions between Non-covalently Bonded Species written by Elliot R. Bernstein and published by Elsevier. This book was released on 2020-09-10 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Toshihiko Hanai
Publisher : Royal Society of Chemistry
ISBN 13 : 1849739919
Total Pages : 352 pages
Book Rating : 4.17/5 ( download)

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Download or read book Quantitative In Silico Chromatography written by Toshihiko Hanai and published by Royal Society of Chemistry. This book was released on 2014-06-15 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by the author of "HPLC: A Practical Guide" (RSC, 1999), this book presents the possibilities for characterising biological applications by combining analytical and computational chemistries.

Author : Renato V. Iozzo
Publisher : CRC Press
ISBN 13 : 082474652X
Total Pages : 432 pages
Book Rating : 4.20/5 ( download)

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Download or read book Proteoglycans written by Renato V. Iozzo and published by CRC Press. This book was released on 2000-04-05 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive, up-to-date review of the structure, biology, and molecular interactions of proteoglycans, consolidating into a single source research using molecular, cellular, and animal systems. Of particular note is an in-depth look at the role of heparan sulfate in modulating growth factors and morphogens.

Author : Kamal Bouarab
Publisher : CABI
ISBN 13 : 1845935756
Total Pages : 356 pages
Book Rating : 4.57/5 ( download)

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Download or read book Molecular Plant-Microbe Interactions written by Kamal Bouarab and published by CABI. This book was released on 2009-10-12 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, divided into 13 chapters, explores recent discoveries in the area of molecular plant-microbe interactions. It focuses mainly on the mechanisms controlling plant disease resistance and the cross talk among the signalling pathways involved, and the strategies used by fungi and viruses to suppress these defences. Two chapters deal with the role of symbionts (such as the symbiotic actinobacteria and vesicular arbuscular mycorrhizal fungi) during their interactions with plants.

Author : H. Ratajczak
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 664 pages
Book Rating : 4.64/5 ( download)

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Download or read book Molecular Interactions written by H. Ratajczak and published by John Wiley & Sons. This book was released on 1980 with total page 664 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Ilya G. Kaplan
Publisher : John Wiley & Sons
ISBN 13 : 0470863331
Total Pages : 380 pages
Book Rating : 4.36/5 ( download)

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Download or read book Intermolecular Interactions written by Ilya G. Kaplan and published by John Wiley & Sons. This book was released on 2006-05-01 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: The subject of this book — intermolecular interactions — is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and biological compounds. In the first two chapters of this book, the detailed qualitative description of different types of intermolecular forces at large, intermediate and short-range distances is presented. For the first time in the monographic literature, the temperature dependence of the dispersion forces is discussed, and it is shown that at finite temperatures the famous Casimir-Polder asymptotic formula is correct only at narrow distance range. The author has aimed to make the presentation understandable to a broad scope of readers without oversimplification. In Chapter 3, the methods of quantitative calculation of the intermolecular interactions are discussed and modern achievements are presented. This chapter should be helpful for scientists performing computer calculations of many-electron systems. The last two chapters are devoted to the many-body effects and model potentials. More than 50 model potentials exploited for processing experimental data and computer simulation in different fields of physics, chemistry and molecular biology are represented. The widely used global optimisation methods: simulated annealing, diffusion equation method, basin-hopping algorithm, and genetic algorithm are described in detail. Significant efforts have been made to present the book in a self-sufficient way for readers. All the necessary mathematical apparatus, including vector and tensor calculus and the elements of the group theory, as well as the main methods used for quantal calculation of many-electron systems are presented in the appendices.