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Computational Crystallography
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Book Synopsis Computational Crystallography by : David Sayre
Download or read book Computational Crystallography written by David Sayre and published by Oxford [Oxfordshire] : Clarendon Press. This book was released on 1982 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: Papers presented at the International Summer School on Crystallography Computing, Carleton University, Ottawa, August 7-15, 1981.
Book Synopsis Foundations of Crystallography with Computer Applications by : Maureen M. Julian
Download or read book Foundations of Crystallography with Computer Applications written by Maureen M. Julian and published by CRC Press. This book was released on 2011-03-05 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: X-ray crystallography provides a unique opportunity to study the arrangement of atoms in a molecule. This book's modern computer-graphics centered approach facilitates the extrapolation of these valuable observations. A unified treatment of crystal systems, the book explains how atoms are arranged in crystals using the metric matrix. Featuring t
Book Synopsis Lecture Notes on Computational Structural Biology by : Zhijun Wu
Download or read book Lecture Notes on Computational Structural Biology written by Zhijun Wu and published by World Scientific. This book was released on 2008 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: While the field of computational structural biology or structural bioinformatics is rapidly developing, there are few books with a relatively complete coverage of such diverse research subjects studied in the field as X-ray crystallography computing, NMR structure determination, potential energy minimization, dynamics simulation, and knowledge-based modeling. This book helps fill the gap by providing such a survey on all the related subjects. Comprising a collection of lecture notes for a computational structural biology course for the Program on Bioinformatics and Computational Biology at Iowa State University, the book is in essence a comprehensive summary of computational structural biology based on the author's own extensive research experience, and a review of the subject from the perspective of a computer scientist or applied mathematician. Readers will gain a deeper appreciation of the biological importance and mathematical novelty of the research in the field.
Book Synopsis Crystallography in Molecular Biology by : Dino Moras
Download or read book Crystallography in Molecular Biology written by Dino Moras and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis High-Pressure Crystallography by : Andrzej Katrusiak
Download or read book High-Pressure Crystallography written by Andrzej Katrusiak and published by Springer Science & Business Media. This book was released on 2004-03-31 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: Despite the tremendous advances in the techniques and equipment for carrying out high-pressure crystallography, the application or exploration of the high-pressure variable in detailed structural studies remains rare. The chapters in this book provide a set of lecture notes and supplementary material for a course on high pressure crystallography. The material comprises state-of-the-art reviews of high-pressure experiments using X-ray and neutron diffraction techniques at synchrotron and neutron facilities and in the laboratory, as well as complementary experimental high-pressure techniques and theoretical methods for investigating matter at elevated pressures. The materials studies range from elemental solids and liquids to inorganic compounds, minerals, organic compounds, clathrates and pharmaceutical compounds, to large biological molecules such as proteins and viruses. The book provides a reference for workers in high-pressure science wishing to learn more about crystallography and for established crystallographers potentially interested in high pressure as a variable, as well as an introductory guide to new researchers in the field.
Book Synopsis Crystallography of Protein Dynamics by :
Download or read book Crystallography of Protein Dynamics written by and published by Elsevier. This book was released on 2023-09-25 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: Approx.400 pagesApprox.400 pages
Book Synopsis Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile by : Sadasivan Shankar
Download or read book Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile written by Sadasivan Shankar and published by Springer Nature. This book was released on 2021-01-25 with total page 1344 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.
Book Synopsis Advanced X-ray Crystallography by : Kari Rissanen
Download or read book Advanced X-ray Crystallography written by Kari Rissanen and published by Springer Science & Business Media. This book was released on 2012-01-10 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Studies of Crystal Structure and Bonding, by Angelo Gavezzotti Cryo-Crystallography: Diffraction at Low Temperature and More, by Piero Macchi High-Pressure Crystallography, by Malcolm I. McMahon Chemical X-Ray Photodiffraction: Principles, Examples, and Perspectives, by Panče Naumov Powder Diffraction Crystallography of Molecular Solids, by Kenneth D. M. Harris
Book Synopsis Biomolecular Crystallography by : Bernhard Rupp
Download or read book Biomolecular Crystallography written by Bernhard Rupp and published by Garland Science. This book was released on 2009-10-20 with total page 832 pages. Available in PDF, EPUB and Kindle. Book excerpt: Synthesizing over thirty years of advances into a comprehensive textbook, Biomolecular Crystallography describes the fundamentals, practices, and applications of protein crystallography. Illustrated in full-color by the author, the text describes mathematical and physical concepts in accessible and accurate language. Biomolecular Crystallography will be a valuable resource for advanced undergraduate and graduate students and practitioners in structural biology, crystallography, and structural bioinformatics.
Book Synopsis Evolving Methods for Macromolecular Crystallography by : Randy J. Read
Download or read book Evolving Methods for Macromolecular Crystallography written by Randy J. Read and published by Springer Science & Business Media. This book was released on 2007-06-25 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume draws on the expertise of leaders in the field of macromolecular crystallography to illuminate the dramatic developments that are accelerating progress in structural biology. Their contributions span the range of techniques from crystallization through data collection, structure solution and analysis. The book shows how modern high-throughput methods are contributing to a deeper understanding of medical problems.
Book Synopsis Fundamentals of Crystallography by : Carmelo Giacovazzo
Download or read book Fundamentals of Crystallography written by Carmelo Giacovazzo and published by Oxford University Press, USA. This book was released on 2002 with total page 860 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years crystallographic techniques have found applications in a wide range of subjects, and these applications in turn have led to exciting developments in the field of crystallography itself. This completely revised text offers a rigorous treatment of the theory and describes experimental applications in many fields: crystal symmetry, crystallographic computing, X-ray diffraction, crystal structure solution, mineral and inorganic crystal chemistry, protein crystallography, crystallography of real crystals, and crystal physics. A set of pedagogical tools on CD-ROM has been added to this new edition.
Book Synopsis Current Methods and Optimization Algorithms for the Refinement of X-Ray Crystal Structures by : J. Uria
Download or read book Current Methods and Optimization Algorithms for the Refinement of X-Ray Crystal Structures written by J. Uria and published by CRC Press. This book was released on 1999-08-19 with total page 78 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Orientations and Rotations by : Adam Morawiec
Download or read book Orientations and Rotations written by Adam Morawiec and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 203 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentially, Orientations and Rotations treats the mathematical and computational foundations of texture analysis. It contains an extensive and thorough introduction to parameterizations and geometry of the rotation space. Since the notions of orientations and rotations are of primary importance for science and engineering, the book can be useful for a very broad audience using rotations in other fields.
Book Synopsis Computational Drug Discovery by : Pooja A. Chawla
Download or read book Computational Drug Discovery written by Pooja A. Chawla and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-10-07 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics
Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Book Synopsis Neutron Crystallography in Structural Biology by :
Download or read book Neutron Crystallography in Structural Biology written by and published by Academic Press. This book was released on 2020-02-22 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt: Neutron Crystallography in Structural Biology, Volume 634, the latest volume in the Methods in Enzymology series, continues the legacy of this premier serial with quality chapters authored by leaders in the field. Chapters in this updated release include Fundamentals of neutron crystallography in structural biology, Large crystal growth for neutron protein crystallography, Prospects for membrane protein crystals in NMX, IMAGINE: The neutron protein crystallography beamline at the high flux isotope reactor, The macromolecular neutron diffractometer at the spallation neutron source, Current status and near future plan of neutron protein crystallography at J-PARC, Neutron macromolecular crystallography at the European spallation source, and much more. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Methods in Enzymology series Includes the latest information on neutron crystallography in structural biology
Book Synopsis Data Mining in Crystallography by : D. W. M. Hofmann
Download or read book Data Mining in Crystallography written by D. W. M. Hofmann and published by Springer Science & Business Media. This book was released on 2009-11-26 with total page 181 pages. Available in PDF, EPUB and Kindle. Book excerpt: Humans have been “manually” extracting patterns from data for centuries, but the increasing volume of data in modern times has called for more automatic approaches. Early methods of identifying patterns in data include Bayes’ theorem (1700s) and Regression analysis (1800s). The proliferation, ubiquity and incre- ing power of computer technology has increased data collection and storage. As data sets have grown in size and complexity, direct hands-on data analysis has - creasingly been augmented with indirect, automatic data processing. Data mining has been developed as the tool for extracting hidden patterns from data, by using computing power and applying new techniques and methodologies for knowledge discovery. This has been aided by other discoveries in computer science, such as Neural networks, Clustering, Genetic algorithms (1950s), Decision trees (1960s) and Support vector machines (1980s). Data mining commonlyinvolves four classes of tasks: • Classi cation: Arranges the data into prede ned groups. For example, an e-mail program might attempt to classify an e-mail as legitimate or spam. Common algorithmsinclude Nearest neighbor,Naive Bayes classi er and Neural network. • Clustering: Is like classi cation but the groups are not prede ned, so the algorithm will try to group similar items together. • Regression: Attempts to nd a function which models the data with the least error. A common method is to use Genetic Programming. • Association rule learning: Searches for relationships between variables. For example, a supermarket might gather data of what each customer buys.
