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Evolutionary Algorithm As An Approach For Computer Assisted Structure Elucidation Of Organic And Bioorganic Compounds
Download Evolutionary Algorithm As An Approach For Computer Assisted Structure Elucidation Of Organic And Bioorganic Compounds full books in PDF, epub, and Kindle. Read online Evolutionary Algorithm As An Approach For Computer Assisted Structure Elucidation Of Organic And Bioorganic Compounds ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Magnetic Resonance and Its Applications by : Vladimir I. Chizhik
Download or read book Magnetic Resonance and Its Applications written by Vladimir I. Chizhik and published by Springer Science & Business Media. This book was released on 2014-04-08 with total page 785 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is devoted to the description of the fundamentals in the area of magnetic resonance. The book covers two domains: radiospectroscopy and quantum radioelectronics. Radiospectroscopy comprises nuclear magnetic resonance , electron paramagnetic resonance, nuclear quadrupolar resonance, and some other phenomena. The radiospectroscopic methods are widely used for obtaining the information on internal (nano, micro and macro) structure of objects. Quantum radioelectronics, which was developed on the basis of radiospectroscopic methods, deals with processes in quantum amplifiers, generators and magnetometers. We do not know analogues of the book presented. The book implies a few levels of the general consideration of phenomena, that can be useful for different groups of readers (students, PhD students, scientists from other scientific branches: physics, chemistry, physical chemistry, biochemistry, biology and medicine).
Book Synopsis De novo Molecular Design by : Gisbert Schneider
Download or read book De novo Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2013-10-10 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.
Book Synopsis 3D QSAR in Drug Design by : Hugo Kubinyi
Download or read book 3D QSAR in Drug Design written by Hugo Kubinyi and published by Springer Science & Business Media. This book was released on 1998-04-30 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication of the highly successful first volume about four years ago. Volume 2 (Ligand-Protein Interactions and Molecular Similarity) divides into three sections dealing with Ligand-Protein Interactions, Quantum Chemical Models and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. Volume 3 (Recent Advances) is also divided into three sections, namely 3D QSAR Methodology: CoMFA and Related Approaches, Receptor Models and Other 3D QSAR Approaches, and 3D QSAR Applications. More than seventy distinguished scientists have contributed nearly forty reviews of their work and related research to these two volumes which are of outstanding quality and timeliness. These works present an up-to-date coverage of the latest developments in all fields of 3D QSAR.
Author :Manfred Reichenbächer Publisher :Springer Science & Business Media ISBN 13 :3642243894 Total Pages :500 pages Book Rating :4.6/5 (422 download)
Book Synopsis Challenges in Molecular Structure Determination by : Manfred Reichenbächer
Download or read book Challenges in Molecular Structure Determination written by Manfred Reichenbächer and published by Springer Science & Business Media. This book was released on 2012-03-23 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.
Book Synopsis Structure-Based Drug Design by : Pandi Veerapandian
Download or read book Structure-Based Drug Design written by Pandi Veerapandian and published by Routledge. This book was released on 2018-03-29 with total page 665 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introducing the most recent advances in crystallography, nuclear magnetic resonance, molecular modeling techniques, and computational combinatorial chemistry, this unique, interdisciplinary reference explains the application of three-dimensional structural information in the design of pharmaceutical drugs. Furnishing authoritative analyses by world-renowned experts, Structure-Based Drug Design discusses protein structure-based design in optimizing HIV protease inhibitors and details the biochemical, genetic, and clinical data on HIV-1 reverse transcriptase presents recent results on the high-resolution three-dimensional structure of the catalytic core domain of HIV-1 integrase as a foundation for divergent combination therapy focuses on structure-based design strategies for uncovering receptor antagonists to treat inflammatory diseases demonstrates a systematic approach to the design of inhibitory compounds in cancer treatment reviews current knowledge on the Interleukin-1 (IL-1) system and progress in the development of IL-1 modulators describes the influence of structure-based methods in designing capsid-binding inhibitors for relief of the common cold and much more!
Book Synopsis Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation by : Mikhail E Elyashberg
Download or read book Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation written by Mikhail E Elyashberg and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 505 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve the reliability of the results. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation describes the principles on which these expert systems for spectroscopic structure elucidation are based and concisely explains the algorithmic concepts behind the programs. The authors use their own personal experiences in the development of the Structure Elucidator (StrucEluc) CASE software system to discuss the present state-of-the-art in computer-assisted structure elucidation. Scientists that are presently using CASE systems will be interested in the algorithms and modern approaches and for organizations that are currently using the StrucEluc platform the book is designed to help researchers understand the strategies behind CASE as well as details regarding the StrucEluc platform. For scientists that have never used CASE systems they will now have access to all necessary information to understand CASE systems for mastering this new and very effective approach to structure elucidation. The authors overall goal is writing this book is to produce the 'must read' definitive text that will represent the results of decades of work to develop computer-assisted structure elucidation software systems. CASE systems are now powerful software tools commonly outperforming and correcting human interpretations of data. This book will also provide an historical perspective of the work of the founding fathers of the technique and identify the challenges that have been overcome to produce modern CASE systems.
Book Synopsis Progress in the Chemistry of Organic Natural Products 100 by : A. D. Kinghorn
Download or read book Progress in the Chemistry of Organic Natural Products 100 written by A. D. Kinghorn and published by Springer. This book was released on 2014-11-17 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: The volumes of this classic series, now referred to simply as "Zechmeister" after its founder, L. Zechmeister, have appeared under the Springer Imprint ever since the series' inauguration in 1938. It is therefore not really surprising to find out that the list of contributing authors, who were awarded a Nobel Prize, is quite long: Kurt Alder, Derek H.R. Barton, George Wells Beadle, Dorothy Crowfoot-Hodgkin, Otto Diels, Hans von Euler-Chelpin, Paul Karrer, Luis Federico Leloir, Linus Pauling, Vladimir Prelog, with Walter Norman Haworth and Adolf F.J. Butenandt serving as members of the editorial board. The volumes contain contributions on various topics related to the origin, distribution, chemistry, synthesis, biochemistry, function or use of various classes of naturally occurring substances ranging from small molecules to biopolymers. Each contribution is written by a recognized authority in his field and provides a comprehensive and up-to-date review of the topic in question. Addressed to biologists, technologists and chemists alike, the series can be used by the expert as a source of information and literature citations and by the non-expert as a means of orientation in a rapidly developing discipline.
Book Synopsis Structure Elucidation in Organic Chemistry by : Maria-Magdalena Cid
Download or read book Structure Elucidation in Organic Chemistry written by Maria-Magdalena Cid and published by John Wiley & Sons. This book was released on 2015-01-05 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. Adopting a practical point of view, the author team from academia and industry guarantees both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem.
Book Synopsis Computer–Based Structure Elucidation from Spectral Data by : Mikhail E. Elyashberg
Download or read book Computer–Based Structure Elucidation from Spectral Data written by Mikhail E. Elyashberg and published by Springer. This book was released on 2015-02-27 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure. Aspects covered include the main blocks of the expert system and essential features of the mathematical algorithms used. Graduate and PhD students as well as practicing chemists are provided with a detailed explanation of the various practical approaches depending on available spectral data peculiarities and the complexity of the unknown structure. This is supported by a large number of real-world completed examples, most of which are related to the structure elucidation of natural product molecules containing unusual skeletons. Dedicated software and further supplementary material are available at www.acdlabs.com/TeachingSE.
Book Synopsis Organic Ligands in Marine Trace Metal Biogeochemistry by : Kristen N. Buck
Download or read book Organic Ligands in Marine Trace Metal Biogeochemistry written by Kristen N. Buck and published by Frontiers Media SA. This book was released on 2018-01-11 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: This research topic highlights the most recent accomplishments of a Scientific Committee on Oceanic Research (SCOR) Working Group, SCOR WG 139: Organic Ligands - A Key Control on Trace Metal Biogeochemistry in the Ocean.
Book Synopsis Marine Cyanobacteria by : Loïc Charpy
Download or read book Marine Cyanobacteria written by Loïc Charpy and published by Musee Oceanographique. This book was released on 1999 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Reviews in Computational Chemistry, Volume 5 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 5 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: Führende Experten auf dem Gebiet der Computer-Chemie präsentieren in dem fünften Band der erfolgreichen Reihe 'Reviews in Computational Chemistry' die neuesten Entwicklungen. Um den interessierten Chemiker auf dem aktuellen Stand zu halten, ist der Reihe im Anhang eine Liste mit der Software zum Thema beigefügt
Book Synopsis Advances in Fingerprint Technology by : Ashim K. Datta
Download or read book Advances in Fingerprint Technology written by Ashim K. Datta and published by CRC Press. This book was released on 2001-06-15 with total page 457 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fingerprints constitute one of the most important categories of physical evidence, and it is among the few that can be truly individualized. During the last two decades, many new and exciting developments have taken place in the field of fingerprint science, particularly in the realm of methods for developing latent prints and in the growth of imag
Book Synopsis Tools and Modes of Representation in the Laboratory Sciences by : U. Klein
Download or read book Tools and Modes of Representation in the Laboratory Sciences written by U. Klein and published by Springer Science & Business Media. This book was released on 2001-10-31 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fourteen chapters provide insights into the efforts of 19th- and 20th-century scientists to construct working representations of invisible objects, such as the structural formula of a dye, a three- dimensional model of a protein, or a table conveying relationships between chemical elements. The essays focus on scientists' pragmatic use of representation, exploring the concrete ways that scientists implement sign systems as productive tools both to achieve and to shape their organizational goals. Editor Klein is associated with the Max Planck Institute for the History of Science, Berlin. Annotation copyrighted by Book News Inc., Portland, OR.
Book Synopsis Structure-Based Drug Discovery by : Leslie W. Tari
Download or read book Structure-Based Drug Discovery written by Leslie W. Tari and published by Humana Press. This book was released on 2012-01-06 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last decade has seen the confluence of several enabling technologies that have allowed protein crystallographic methods to live up to their true potential. Taken together, the numerous recent advances have made it possible to tackle difficult biological targets with a high probability of success: intact bacterial ribosomes have been structurally elucidated, as well as eukaryotic trans-membrane proteins like the potassium channel and GPCRs. It is now possible for medicinal chemists to have access to structural information on their latest small molecule candidates bound to the therapeutic target within days of compound synthesis, allowing structure guided ligand optimization to occur in "real time". Structure-Based Drug Discovery presents an array of methods used to generate crystal structures of biological macromolecules, how to leverage the structural information to design novel ligands anew, and how to iteratively optimize hits and convert them to leads. Written in the successful Methods in Molecular BiologyTM series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, Structure-Based Drug Discovery aims to provide scientists interested in adding SBDD to their arsenal of drug discovery methods with well-honed, up-to-date methodologies.
Book Synopsis Industrial Pharmaceutical Biotechnology by : Heinrich Klefenz
Download or read book Industrial Pharmaceutical Biotechnology written by Heinrich Klefenz and published by Wiley-VCH. This book was released on 2002-04-22 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume focuses on pharmaceutical biotechnology as a key area of life sciences. The complete range of concepts, processes and technologies of biotechnology is applied in modern industrial pharmaceutical research, development and production. The results of genome sequencing and studies of biological-genetic function are combined with chemical, micro-electronic and microsystem technology to produce medical devices and diagnostic biochips. A multitude of biologically active molecules is expanded by additional novel structures created with newly arranged gene clusters and bio-catalytic chemical processes. New organisational structures in the co-operation of institutes, companies and networks enable faster knowledge and product development and immediate application of the results of research and process development. This book is the ideal source of information for scientists and engineers in research and development, for decision-makers in biotech, pharma and chemical corporations, as well as for research institutes, but also for founders of biotech companies and people working for venture capital corporations.
Download or read book Book of Abstracts written by and published by . This book was released on 2000 with total page 778 pages. Available in PDF, EPUB and Kindle. Book excerpt:
