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Hybrid Biomolecular Modeling


Hybrid Biomolecular Modeling
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Hybrid Biomolecular Modeling


Hybrid Biomolecular Modeling
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Author : Slavica Jonic
language : en
Publisher: Frontiers Media SA
Release Date : 2019-01-24

Hybrid Biomolecular Modeling written by Slavica Jonic and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-01-24 with categories.


Models of biomolecular structure and dynamics are often obtained by combining simulation or prediction approaches (e.g., comparative modeling, Molecular Dynamics (MD) simulations, Normal Mode Analysis (NMA), etc.) with experimental approaches (e.g., Nuclear Magnetic Resonance (NMR), X-ray crystallography, Small-Angle X-ray Scattering (SAXS), Electron Microscopy (EM), etc.). Such hybrid modeling extends the capabilities of experimental techniques, by enriching structural information and facilitating dynamics studies of biomolecules. This eBook contains articles on methodological developments, applications, and challenges of hybrid biomolecular modeling that have been collected in the framework of the Frontiers Research Topic entitled “Hybrid Biomolecular Modeling”.



Hybrid Methods Of Molecular Modeling


Hybrid Methods Of Molecular Modeling
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Author : Andrei L. Tchougréeff
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-08-01

Hybrid Methods Of Molecular Modeling written by Andrei L. Tchougréeff and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-08-01 with Science categories.


Hybrid Methods of Molecular Modeling is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory. Hybrid Methods of Molecular Modeling presents its material in a sequential way paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for practical developing of the robust modeling code. Historical remarks are given when it is necessary to put the current presentation in a more general context and to establish relation with other areas of computational chemistry. The reader should have experience with basic concepts of computational chemistry and/or molecular modeling. Basic knowledge of operators, wave functions, electron densities is necessary.



Molecular Modeling Of Proteins


Molecular Modeling Of Proteins
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Author : Andreas Kukol
language : en
Publisher: Humana Press
Release Date : 2017-04-30

Molecular Modeling Of Proteins written by Andreas Kukol and has been published by Humana Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-04-30 with Science categories.


Molecular Modeling of Proteins, Second Edition provides a theoretical background of various methods available and enables non-specialists to apply methods to their problems by including updated chapters and new material not covered in the first edition. This detailed volume opens by featuring classical and advanced simulation methods as well as methods to set-up complex systems such as lipid membranes and membrane proteins and continues with chapters devoted to the simulation and analysis of conformational changes of proteins, computational methods for protein structure prediction, usage of experimental data in combination with computational techniques, as well as protein-ligand interactions, which are relevant in the drug design process. Written for the highly successful Methods in Molecular Biology series, chapters include thorough introductions, step-by-step instructions and notes on troubleshooting and avoiding common pitfalls. Update-to-date and authoritative, Molecular Modeling of Proteins, Second Edition aims to aid researchers in the physical, chemical and biosciences interested in utilizing this powerful technology.



Innovations In Biomolecular Modeling And Simulations


Innovations In Biomolecular Modeling And Simulations
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Author : Tamar Schlick
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012

Innovations In Biomolecular Modeling And Simulations written by Tamar Schlick and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Science categories.


This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.



Modeling Biomolecular Networks In Cells


Modeling Biomolecular Networks In Cells
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Author : Luonan Chen
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-07-05

Modeling Biomolecular Networks In Cells written by Luonan Chen and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-07-05 with Technology & Engineering categories.


Modeling Biomolecular Networks in Cells shows how the interaction between the molecular components of basic living organisms can be modelled mathematically and the models used to create artificial biological entities within cells. Such forward engineering is a difficult task but the nonlinear dynamical methods espoused in this book simplify the biology so that it can be successfully understood and the synthesis of simple biological oscillators and rhythm-generators made feasible. Such simple units can then be co-ordinated using intercellular signal biomolecules. The formation of such man-made multicellular networks with a view to the production of biosensors, logic gates, new forms of integrated circuitry based on "gene-chips" and even biological computers is an important step in the design of faster and more flexible "electronics". The book also provides theoretical frameworks and tools with which to analyze the nonlinear dynamical phenomena which arise from the connection of building units in a biomolecular network.



Molecular Modeling And Simulation


Molecular Modeling And Simulation
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Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-18

Molecular Modeling And Simulation written by Tamar Schlick and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-18 with Science categories.


Science is a way of looking, reverencing. And the purpose of all science, like living, which amounts to the same thing, is not the ac cumulation of gnostic power, the fixing of formulas for the name of God, the stockpiling of brutal efficiency, accomplishing the sadistic myth of progress. The purpose of science is to revive and cultivate a perpetual state of wonder. For nothing deserves wonder so much as our capacity to experience it. Roald Hoffman and Shira Leibowitz Schmidt, in Old Wine, New Flasks: Re. flections on Science and Jewish Tradition (W. H. Freeman, 1997). Challenges in Teaching Molecular Modeling This textbook evolved from a graduate course termed Molecular Modeling intro duced in the fall of 1996 at New York University. The primary goal of the course is to stimulate excitement for molecular modeling research - much in the spirit of Hoffman and Leibowitz Schmidt above - while providing grounding in the discipline. Such knowledge is valuable for research dealing with many practical problems in both the acadernic and industrial sectors, from developing treatments for AIDS (via inhibitors to the protease enzyme of the human imrnunodeficiency virus, HIV-1) to designing potatoes that yie1d spot-free potato chips (via trans genic potatoes with altered carbohydrate metabolism). In the course of writing xii Preface this text, the notes have expanded to function also as an introduction to the field for scientists in other disciplines by providing a global perspective into problems and approaches, rather than a comprehensive survey.



Biomolecular And Bioanalytical Techniques


Biomolecular And Bioanalytical Techniques
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Author : Vasudevan Ramesh
language : en
Publisher: John Wiley & Sons
Release Date : 2019-06-10

Biomolecular And Bioanalytical Techniques written by Vasudevan Ramesh and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-10 with Science categories.


An essential guide to biomolecular and bioanalytical techniques and their applications Biomolecular and Bioanalytical Techniques offers an introduction to, and a basic understanding of, a wide range of biophysical techniques. The text takes an interdisciplinary approach with contributions from a panel of distinguished experts. With a focus on research, the text comprehensively covers a broad selection of topics drawn from contemporary research in the fields of chemistry and biology. Each of the internationally reputed authors has contributed a single chapter on a specific technique. The chapters cover the specific technique’s background, theory, principles, technique, methodology, protocol and applications. The text explores the use of a variety of analytical tools to characterise biological samples. The contributors explain how to identify and quantify biochemically important molecules, including small molecules as well as biological macromolecules such as enzymes, antibodies, proteins, peptides and nucleic acids. This book is filled with essential knowledge and explores the skills needed to carry out the research and development roles in academic and industrial laboratories. A technique-focused book that bridges the gap between an introductory text and a book on advanced research methods Provides the necessary background and skills needed to advance the research methods Features a structured approach within each chapter Demonstrates an interdisciplinary approach that serves to develop independent thinking Written for students in chemistry, biological, medical, pharmaceutical, forensic and biophysical sciences, Biomolecular and Bioanalytical Techniques is an in-depth review of the most current biomolecular and bioanalytical techniques in the field.



Multiscale Modeling From Macromolecules To Cell Opportunities And Challenges Of Biomolecular Simulations


Multiscale Modeling From Macromolecules To Cell Opportunities And Challenges Of Biomolecular Simulations
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Author : Valentina Tozzini
language : en
Publisher: Frontiers Media SA
Release Date : 2020-10-27

Multiscale Modeling From Macromolecules To Cell Opportunities And Challenges Of Biomolecular Simulations written by Valentina Tozzini and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-27 with Science categories.


This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.



The Art Of Molecular Dynamics Simulation


The Art Of Molecular Dynamics Simulation
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Author : D. C. Rapaport
language : en
Publisher: Cambridge University Press
Release Date : 2004-04

The Art Of Molecular Dynamics Simulation written by D. C. Rapaport and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-04 with Science categories.


First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.



Computational Biochemistry And Biophysics


Computational Biochemistry And Biophysics
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Author : Oren M. Becker
language : en
Publisher: CRC Press
Release Date : 2001-02-09

Computational Biochemistry And Biophysics written by Oren M. Becker and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-02-09 with Medical categories.


Covering theoretical methods and computational techniques in biomolecular research, this book focuses on approaches for the treatment of macromolecules, including proteins, nucleic acids, and bilayer membranes. It uses concepts in free energy calculations, conformational analysis, reaction rates, and transition pathways to calculate and interpret b