Determining Molecular Conformation from Distance Or Density Data PDF Download
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Author: Cheuk-san Wang
Publisher:
ISBN:
Category :
Languages : en
Pages : 130
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Book Description
(Cont.) Our algorithm, ConfMatch, solves this "map interpretation" problem by matching a detailed conformation of the molecule to the density map (conformational matching). This "best match" structure is defined as one which maximizes the sum of the density at atom positions. The most important idea of ConfMatch is an efficient method for computing accurate bounds for branch-and-bound search. Confmatch relaxes the conformational matching problem, a problem which can only be solved in exponential time (NP-hard), into one which can be solved in polynomial time. The solution to the relaxed problem is a guaranteed upper bound for the conformational matching problem. In most empirical cases, these bounds are accurate enough to prune the search space dramatically, enabling ConfMatch to solve structures with more than 100 free dihedral angles.
Author: Cheuk-san Wang
Publisher:
ISBN:
Category :
Languages : en
Pages : 130
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Book Description
(Cont.) Our algorithm, ConfMatch, solves this "map interpretation" problem by matching a detailed conformation of the molecule to the density map (conformational matching). This "best match" structure is defined as one which maximizes the sum of the density at atom positions. The most important idea of ConfMatch is an efficient method for computing accurate bounds for branch-and-bound search. Confmatch relaxes the conformational matching problem, a problem which can only be solved in exponential time (NP-hard), into one which can be solved in polynomial time. The solution to the relaxed problem is a guaranteed upper bound for the conformational matching problem. In most empirical cases, these bounds are accurate enough to prune the search space dramatically, enabling ConfMatch to solve structures with more than 100 free dihedral angles.
Author: Bruce A. Hendrickson
Publisher:
ISBN:
Category : ABBIE (Computer file)
Languages : en
Pages : 218
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Book Description
Author: Henrik Bohr
Publisher: IOS Press
ISBN: 9784274022630
Category : Distance geometry
Languages : en
Pages : 364
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Author: Alessandro E.P. Villa
Publisher: Springer
ISBN: 3319447815
Category : Computers
Languages : en
Pages : 580
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Book Description
The two volume set, LNCS 9886 + 9887, constitutes the proceedings of the 25th International Conference on Artificial Neural Networks, ICANN 2016, held in Barcelona, Spain, in September 2016. The 121 full papers included in this volume were carefully reviewed and selected from 227 submissions. They were organized in topical sections named: from neurons to networks; networks and dynamics; higher nervous functions; neuronal hardware; learning foundations; deep learning; classifications and forecasting; and recognition and navigation. There are 47 short paper abstracts that are included in the back matter of the volume.
Author: Timothy Franklin Havel
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Author:
Publisher: Academic Press
ISBN: 0128032251
Category : Science
Languages : en
Pages : 3716
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Book Description
This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas
Author: Thomas M. Nordlund
Publisher: CRC Press
ISBN: 1351801171
Category : Science
Languages : en
Pages : 870
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Book Description
Praise for the prior edition "The author has done a magnificent job... this book is highly recommended for introducing biophysics to the motivated and curious undergraduate student." ―Contemporary Physics "a terrific text ... will enable students to understand the significance of biological parameters through quantitative examples―a modern way of learning biophysics." ―American Journal of Physics "A superb pedagogical textbook... Full-color illustrations aid students in their understanding" ―Midwest Book Review This new edition provides a complete update to the most accessible yet thorough introduction to the physical and quantitative aspects of biological systems and processes involving macromolecules, subcellular structures, and whole cells. It includes two brand new chapters covering experimental techniques, especially atomic force microscopy, complementing the updated coverage of mathematical and computational tools. The authors have also incorporated additions to the multimedia component of video clips and animations, as well as interactive diagrams and graphs. Thomas Nordlund is professor emeritus in the Department of Physics at The University of Alabama at Birmingham. He is an elected fellow of the American Physical Society and has been studying biomolecular dynamics for over thirty years. Peter M. Hoffmann is a professor in the Department of Physics and Astronomy at Wayne State University in Detroit, Michigan, where he founded the biomedical physics program. He has been involved in soft matter and biophysics research for twenty-five years, and earned his PhD in materials science and engineering from Johns Hopkins University.
Author:
Publisher: Elsevier
ISBN: 0128114320
Category : Medical
Languages : en
Pages : 3421
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Book Description
Encyclopedia of Bioinformatics and Computational Biology: ABC of Bioinformatics, Three Volume Set combines elements of computer science, information technology, mathematics, statistics and biotechnology, providing the methodology and in silico solutions to mine biological data and processes. The book covers Theory, Topics and Applications, with a special focus on Integrative –omics and Systems Biology. The theoretical, methodological underpinnings of BCB, including phylogeny are covered, as are more current areas of focus, such as translational bioinformatics, cheminformatics, and environmental informatics. Finally, Applications provide guidance for commonly asked questions. This major reference work spans basic and cutting-edge methodologies authored by leaders in the field, providing an invaluable resource for students, scientists, professionals in research institutes, and a broad swath of researchers in biotechnology and the biomedical and pharmaceutical industries. Brings together information from computer science, information technology, mathematics, statistics and biotechnology Written and reviewed by leading experts in the field, providing a unique and authoritative resource Focuses on the main theoretical and methodological concepts before expanding on specific topics and applications Includes interactive images, multimedia tools and crosslinking to further resources and databases
Author:
Publisher: Academic Press
ISBN: 0080957188
Category : Science
Languages : en
Pages : 3533
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Book Description
Biophysics is a rapidly-evolving interdisciplinary science that applies theories and methods of the physical sciences to questions of biology. Biophysics encompasses many disciplines, including physics, chemistry, mathematics, biology, biochemistry, medicine, pharmacology, physiology, and neuroscience, and it is essential that scientists working in these varied fields are able to understand each other's research. Comprehensive Biophysics, Nine Volume Set will help bridge that communication gap. Written by a team of researchers at the forefront of their respective fields, under the guidance of Chief Editor Edward Egelman, Comprehensive Biophysics, Nine Volume Set provides definitive introductions to a broad array of topics, uniting different areas of biophysics research - from the physical techniques for studying macromolecular structure to protein folding, muscle and molecular motors, cell biophysics, bioenergetics and more. The result is this comprehensive scientific resource - a valuable tool both for helping researchers come to grips quickly with material from related biophysics fields outside their areas of expertise, and for reinforcing their existing knowledge. Biophysical research today encompasses many areas of biology. These studies do not necessarily share a unique identifying factor. This work unites the different areas of research and allows users, regardless of their background, to navigate through the most essential concepts with ease, saving them time and vastly improving their understanding The field of biophysics counts several journals that are directly and indirectly concerned with the field. There is no reference work that encompasses the entire field and unites the different areas of research through deep foundational reviews. Comprehensive Biophysics fills this vacuum, being a definitive work on biophysics. It will help users apply context to the diverse journal literature offering, and aid them in identifying areas for further research Chief Editor Edward Egelman (E-I-C, Biophysical Journal) has assembled an impressive, world-class team of Volume Editors and Contributing Authors. Each chapter has been painstakingly reviewed and checked for consistent high quality. The result is an authoritative overview which ties the literature together and provides the user with a reliable background information and citation resource
Author: Leonard J. Banaszak
Publisher: Elsevier
ISBN: 0080521843
Category : Science
Languages : en
Pages : 180
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Book Description
Imagine trying to understand an engine without visualizing its moving parts. Biological processes involve far more complex chemical reactions and components than any engine. Furthermore, the parts work together to do many more functions than an engine which sole task is to turn a shaft. Understanding the implications of the three-dimensional coordinates for a molecule with several thousand atoms requires an understanding of, and practice with, 3D imaging. For many biologists, this means acquiring a whole new set of skills. Foundations of Structural Biology is aimed at helping the reader develop visualization skills for protein or DNA segments, while also describing the fundamental principles underlying the organization and interaction between these complex molecules. Key Features* Explains how to use coordinate databases and atomic coordinates of biological macromolecules* Teaches the skills of stereoviewing* Contains computer-generated stereographics* Describes the principles of symmetry and handedness in proteins and DNA* Introduces metal and lipid binding proteins and DNA-protein interactions* Explains the principles involved in understanding secondary and quaternary structure * Includes coverage of protein-metal, protein-nucleic acid, and protein-lipid interactions
