Download or read book Potential Energy Functions in Conformational Analysis written by Kjeld Rasmussen and published by Springer Verlag. This book was released on 1985 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Potential Energy Functions in Conformational Analysis written by Kjeld Rasmussen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: I get by with a little help from my friends The Beatles: Sgt. Pepper This book should have been in Danish. Any decent person must be able to express himself in his mother's tongue, also when expounding scientific ideas and results. Had I stuck to this ideal, the book would have been read by very few people, and, indeed, appreciated by even fewer. Having it publ ished in English gives me a chance to fulfill one ambition: to be read and judged by the international scientific community. Another reason is that the majority of my professional friends are regrettably unread in Danish, just as I am in Hebrew, Finnish and even Italian. I want to deprive them of the most obvious excuse for not reading my opus. Like a man I admired, I will first of all thank my wife. In his autobiography, Meir Weisgal, then President of the Weizmann Insti tute of SCience, wrote about his wife: "In addition to her natural endowments - which are considerable - she was a more than competent part-tim~ secretary." He wrote on, and so shall I. The book has been edited by my wife. So if the reader finds the layout pleasant as, in actual fact, I myself do, Birgit is to be praised. If there are blemishes, I am to be blamed for not having caught them.
Download or read book Molecular Potential Energy Functions written by John N. Murrell and published by . This book was released on 1984 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Good,No Highlights,No Markup,all pages are intact, Slight Shelfwear,may have the corners slightly dented, may have slight color changes/slightly damaged spine.
Download or read book Conformation of Carbohydrates written by V. S. R. Rao and published by CRC Press. This book was released on 2019-08-22 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text will give the reader a firm understanding of all aspects of carbohydrate conformation by describing and explaining the importance of interactions between carbohydrates and interactions of carbohydrates with proteins, nucleic acids or any other macromolecule., The authors have gathered a wealth of information on carbohydrate structures, different methods of conformational analysis, the role of carbohydrates as recognition molecules in biological systems and their industrial applications., Whether you are a student, teacher or a basic researcher, this text book is a ‘one-stop’ source of current information on carbohydrate conformation and the potential use of conformational properties in industry and also of their crucial role in important biological events such as cell-cell interaction, cell adhesion, cellular signaling mechanism.
Download or read book Recent Experimental and Computational Advances in Molecular Spectroscopy written by Rui Fausto and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed. This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective. (short text) This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective.
Download or read book Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry written by Camillo Tosi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Conformational Properties of Macromolecules written by A Hopfinger and published by Elsevier. This book was released on 2012-12-02 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Conformational Properties of Macromolecules provides information about the molecular parameters and spatial and thermodynamic properties of macromolecules and the application of theoretical conformational energy calculations. The book covers topics such as macromolecular geometry, the classification of macromolecular structure, and the generation of macromolecular conformations and configurations; conformational energies and potential functions, induced dipole and polymer-solvent interactions; and conformational transition in molecules. Also covered are topics such as absorption and optical rotation spectroscopies, epitaxial crystallization of macromolecules, and conformational fluctuation in macromolecules. The text is recommended for structural chemists, X-ray crystallographers, biophysicists, physical chemists, and macromolecular scientists who would like to know more about this particular area of knowledge.
Download or read book Potential Energy Surfaces written by Alexander F. Sax and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt: Potential Energy Surfaces is a collection of lectures given at the 1996 Mariapfarr Workshop in Theoretical Chemistry, organized by Alexander F. Sax. The Mariapfarr Workshops' aim is to discuss in-depth topics in Theoretical Chemistry. The target group of these workshops is graduate students and postdocs.
Download or read book Molecular Modelling and Drug Design written by Vintner and published by CRC Press. This book was released on 1994-05-03 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a myriad of fresh ideas and energetic approaches to the newer aspects of everyday drug modelling. With contributions from some of the best young talents of today, Molecular Modelling and Drug Design encourages a break from old traditions and probes the unexplored avenues of the modelling tool. The contributors' views act as a gauge to future trends in computer-aided drug design-an area that continues to expand and play an ever more significant role in drug discovery.
Download or read book Properties of Chemically Interesting Potential Energy Surfaces written by Dietmar Heidrich and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 193 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES). The authors critically analyze chemically and mathematically suitable reaction path definitions. The book presents a simple mathematical analysis of stationary and critical points of the PES. It provides tools for studying chemical reactions by calculating reaction paths and related curves. A further aspect of the book is the dependence of PES properties on approximations used for the analysis. Recent quantum chemical calculations, particularly of single proton transfer processes, and experimental data are compared. The book addresses students and researchers in Theoretical Chemistry, Chemical Kinetics and related fields.
Download or read book Natural Food Products and Waste Recovery written by Elizabeth Carvajal-Millan and published by CRC Press. This book was released on 2021-07-09 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Natural Food Products and Waste Recovery: Healthy Foods, Nutrition Design, and Extraction of Valuable Compounds addresses important issues in the design of functional foods and nutraceuticals, extraction of essential compounds, and food waste management. Topics in the nutrition section cover a diverse range of topics, including uses and regulations of functional foods and ingredients, supplements, nutraceuticals, and superfoods; informatics and methods in nutrition design and development; and molecular modeling techniques in food and nutrition development. The volume goes on to address properties, microstructural characteristics, and extraction techniques of bioactive compounds. Chapters also cover the use of artificial intelligence and machine learning in food waste management, mitigation, and reuse strategies for food waste. This research-based volume is a valuable reference for professionals involved in product development and researchers focusing on food products. It will be of great interest to postgraduate students and researchers in environmental policy and waste management, as well as policymakers and practitioners in consumer issues and business.
Download or read book Reviews in Computational Chemistry Volume 2 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 547 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second volume of the series 'Reviews in Computational Chemistry' explores new applications, new methodologies, and new perspectives. The topics covered include conformational analysis, protein folding, force field parameterizations, hydrogen bonding, charge distributions, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry literature. Methodologies described include conformational search strategies, distance geometry, molecular mechanics, molecular dynamics, ab initio and semiempirical molecular orbital calculations, and quantitative structure-activity relationships (QSAR) using topological and electronic descriptors. A compendium of molecular modeling software will help users select the computational tools they need. Each chapter in 'Reviews in Computational Chemistry' serves as a brief tutorial for organic, physical, pharmaceutical, and biological chemists new to the field. Practitioners will be interested in the recent advances.
Download or read book Global Minimization of Nonconvex Energy Functions written by Panos M. Pardalos and published by American Mathematical Soc.. This book was released on with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains refereed papers presented at a remarkable interdisciplinary scientific meeting attended by a mix of leading biochemists and computer scientists held at DIMACS in March 1995. It describes the development of a variety og new methods which are being developed for attacking the important problem of molecular structure.
Download or read book The Consistent Force Field written by S.R. Niketic and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Pacific Symposium on Biocomputing 2002 Kauai Hawaii 3 7 January 2002 written by Russ B. Altman and published by World Scientific. This book was released on 2001 with total page 710 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Pacific Symposium on Biocomputing brings together key researchers from the international biocomputing community. It is designed to be maximally responsive to the need for critical mass in subdisciplines within biocomputing. This book contains peer-reviewed articles in computational biology. Contents: Human Genome Variation: Disease, Drug Response, and Clinical Phenotypes; Genome-Wide Analysis and Comparative Genomics; Expanding Proteomics to Glycobiology; Literature Data Mining for Biology; Genome, Pathway and Interaction Bioinformatics; Phylogenetic Genomics and Genomic Phylogenetics; Proteins: Structure, Function and Evolution. Readership: Graduate students, academics and industrialists in bioinformatics.
Download or read book Protein Protein Interactions written by Rainer Jaenicke and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 465 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Supramolecular Structure and Function written by Greta Pifat and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular basis of life has been a rapidly growing field of science. There is perhaps no other field where such diverse profiles of scientists, ranging from applied mathematicians and theoretical physicists to experimental biologists and medical doctors (physicians), are compelled to communicate and even to col laborate. This diversity makes the exchange of information richer but at the same time more cumbersome. One way to facilitate the exchange of information and to overcome the barriers between the different languages used by physicists, chemists and biologists is to organize a meeting on a subject of common interest. A par ticularly suitable form of such a meeting for younger scientists is a school at an undergraduate or postgraduate level. This volume contains a collection of lectures presented at the International Summer School in Biophysics, held under the title "Supramolecular Structure and Function" in Dubrovnik, Yugoslavia, in September 1981. The topics discussed at the school were inter- and intramolecular interactions in biological systems, and structure, organization and function of biological macromole cules and supramolecular structures. Although not all the lectures could be prepared in a written form on time for publication, we hope that the present volume contains valuable up-to-date infor mation on various aspects of the molecular basis of life. We wish to express our gratitude to the eminent authors and to state that, having received so much valuable assistance from them, we as editors can only attach our names to apologies for any erro~s that may remain.
