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Author : William S. Hlavacek
Publisher :
ISBN 13 : 9781493991020
Total Pages : 423 pages
Book Rating : 4.9/5 (91 download)
Download or read book Modeling Biomolecular Site Dynamics written by William S. Hlavacek and published by . This book was released on 2019 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Luonan Chen
Publisher : Springer Science & Business Media
ISBN 13 : 1849962146
Total Pages : 343 pages
Book Rating : 4.8/5 (499 download)
Download or read book Modeling Biomolecular Networks in Cells written by Luonan Chen and published by Springer Science & Business Media. This book was released on 2010-07-05 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Benoit Roux
Publisher : World Scientific
ISBN 13 : 9811232776
Total Pages : 209 pages
Book Rating : 4.8/5 (112 download)
Download or read book Computational Modeling And Simulations Of Biomolecular Systems written by Benoit Roux and published by World Scientific. This book was released on 2021-08-23 with total page 209 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a highly technical book dedicated to specialists. The objective is to provide a broad survey from the physical description of a complex molecular system at the most fundamental level, to the type of phenomenological models commonly used to represent the function of large biological macromolecular machines.The key conceptual elements serving as building blocks in the formulation of different levels of approximations are introduced along the way, aiming to clarify as much as possible how they are interrelated. The only assumption is a basic familiarity with simple mathematics (calculus and integrals, ordinary differential equations, matrix linear algebra, and Fourier-Laplace transforms).
Author : Slavica Jonic
Publisher : Frontiers Media SA
ISBN 13 : 2889456994
Total Pages : 128 pages
Book Rating : 4.8/5 (894 download)
Download or read book Hybrid Biomolecular Modeling written by Slavica Jonic and published by Frontiers Media SA. This book was released on 2019-01-24 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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”.
Author : Luca Monticelli
Publisher : Humana Press
ISBN 13 : 9781627030168
Total Pages : 0 pages
Book Rating : 4.0/5 (31 download)
Download or read book Biomolecular Simulations written by Luca Monticelli and published by Humana Press. This book was released on 2012-10-04 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to studies of complex, chemically heterogeneous biological systems consisting of millions of atoms, with the simulation time scales spanning up to milliseconds. In Biomolecular Simulations: Methods and Protocols, expert researchers illustrate many of the methods commonly used in molecular modelling of biological systems, including methods for electronic structure calculations, classical molecular dynamics simulations and coarse-grained techniques. A selection of advanced techniques and recent methodological developments, which rarely find coverage in traditional textbooks, is also introduced. Written in the highly successful Methods in Molecular Biology series format, chapters include general introductions to well-established computational methodologies, applications to real-world biological systems, as well as practical tips and general protocols on carrying out biomolecular simulations. Special emphasis is placed on simulations of proteins, lipids, nucleic acids, and carbohydrates. Authoritative and practical, Biomolecular Simulations: Methods and Protocols seeks to aid scientists in further simulation studies of biological systems.
Author : Tamar Schlick
Publisher : Springer Science & Business Media
ISBN 13 : 0387224645
Total Pages : 669 pages
Book Rating : 4.3/5 (872 download)
Download or read book Molecular Modeling and Simulation written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2013-04-18 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt: Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Author : Tamar Schlick
Publisher : Royal Society of Chemistry
ISBN 13 : 1849735042
Total Pages : 380 pages
Book Rating : 4.8/5 (497 download)
Download or read book Innovations in Biomolecular Modeling and Simulations written by Tamar Schlick and published by Royal Society of Chemistry. This book was released on 2012-05-24 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: The chemical and biological sciences face unprecedented opportunities in the 21st century. A confluence of factors from parallel universes - advances in experimental techniques in biomolecular structure determination, progress in theoretical modeling and simulation for large biological systems, and breakthroughs in computer technology - has opened new avenues of opportunity as never before. Now, experimental data can be interpreted and further analysed by modeling, and predictions from any approach can be tested and advanced through companion methodologies and technologies. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts. With contributions from experts in the field, the books describe progress and innovation in areas including: simulation algorithms for dynamics and enhanced configurational sampling, force field development, implicit solvation models, coarse-grained models, quantum-mechanical simulations, protein folding, DNA polymerase mechanisms, nucleic acid complexes and simulations, RNA structure analysis and design and other important topics in structural biology modeling. The books are aimed at graduate students and experts in structural biology and chemistry and the emphasis is on reporting innovative new approaches rather than providing comprehensive reviews on each subject.
Author : W.F. van Gunsteren
Publisher : Springer Science & Business Media
ISBN 13 : 9789072199256
Total Pages : 664 pages
Book Rating : 4.1/5 (992 download)
Download or read book Computer Simulation of Biomolecular Systems written by W.F. van Gunsteren and published by Springer Science & Business Media. This book was released on 1997-11-30 with total page 664 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the third volume in this highly successful series. Since the first volume in 1989 and the second in 1993, many exciting developments have occurred in the development of simulation techniques and their application to key biological problems such as protein folding, protein structure prediction and structure-based design, and in how, by combining experimental and theoretical approaches, very large biological systems can be studied at the molecular level. This series attempts to capture that progress. Volume 3 includes contributions that highlight developments in methodology which enable longer and more realistic simulations (e.g. multiple time steps and variable reduction techniques), a study of force fields for proteins and new force field development, a novel approach to the description of molecular shape and the use of molecular shape descriptors, the study of condensed phase chemical reactions, the use of electrostatic techniques in the study of protonation, equilibria and flexible docking studies, structure refinement using experimental data (X-ray, NMR, neutron, infrared) and theoretical methods (solvation models, normal mode analysis, MD simulations, MC lattice dynamics, and knowledge-based potentials). There are several chapters that show progress in the development of methodologies for the study of folding processes, binding affinities, and the prediction of ligand-protein complexes. The chapters, contributed by experienced researchers, many of whom are leaders in their field of study, are organised to cover developments in: simulation methodology the treatment of electrostatics protein structure refinement the combined experimental and theoretical approaches to the study of very large biological systems applications and methodology involved in the study of protein folding applications and methodology associated with structure-based design.
Author : G. Vergoten
Publisher : Springer Science & Business Media
ISBN 13 : 9401154848
Total Pages : 327 pages
Book Rating : 4.4/5 (11 download)
Download or read book Biomolecular Structure and Dynamics written by G. Vergoten and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 327 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biomolecular Structure and Dynamics describes recent fundamental advances in the experimental and theoretical study of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the structure of proteins and its prediction, time resolved Fourier transform IR spectroscopy of biomolecules, the computation of free energy, applications of vibrational CD of nucleic acids, and solid state NMR. Further presentations include recent advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO methods, empirical force fields, quantitative studies of the structure of proteins in water by Fourier transform IR, and density functional theory. Metal-ligand interactions, DFT treatment of organometallic and biological systems, and simulation vs. X-ray and far IR experiments are also discussed in some detail. The book provides a broad perspective of the current theoretical aspects and recent experimental findings in the field of biomolecular dynamics, revealing future research trends, especially in areas where theoreticians and experimentalists could fruitfully collaborate.
Author : Tamar Schlick
Publisher : Royal Society of Chemistry
ISBN 13 : 1849734615
Total Pages : 381 pages
Book Rating : 4.8/5 (497 download)
Download or read book Innovations in Biomolecular Modeling and Simulations written by Tamar Schlick and published by Royal Society of Chemistry. This book was released on 2012 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.
Author : W.F. van Gunsteren
Publisher : Springer Science & Business Media
ISBN 13 : 9401711208
Total Pages : 633 pages
Book Rating : 4.4/5 (17 download)
Download or read book Computer Simulation of Biomolecular Systems written by W.F. van Gunsteren and published by Springer Science & Business Media. This book was released on 2013-11-27 with total page 633 pages. Available in PDF, EPUB and Kindle. Book excerpt: The third volume in the series on Computer Simulation of Biomolecular Systems continues with the format introduced in the first volume [1] and elaborated in the second volume [2]. The primary emphasis is on the methodological aspects of simulations, although there are some chapters that present the results obtained for specific systems of biological interest. The focus of this volume has changed somewhat since there are several chapters devoted to structure-based ligand design, which had only a single chapter in the second volume. It seems useful to set the stage for this volume by quoting from my preface to Volume 2 [2]. "The long-range 'goal of molecular approaches to biology is to describe living systems in terms of chemistry and physics. Over the last fifty years great progress has been made in applying the equations representing the underlying physical laws to chemical problems involv ing the structures and reactions of small molecules. Corresponding studies of mesoscopic systems have been undertaken much more recently. Molecular dynamics simulations, which are the primary focus of this volume, represent the most important theoretical approach to macromolecules of biological interest." ...
Author : James Faeder
Publisher : Chapman & Hall
ISBN 13 : 9781482236316
Total Pages : 350 pages
Book Rating : 4.2/5 (363 download)
Download or read book Rule-Based Modeling in Systems Biology written by James Faeder and published by Chapman & Hall. This book was released on 2015-06-15 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers computational modeling of "biomolecular site dynamics". It also describes the use of rule-based modeling, in coordination with quantitative experimental approaches, to gain insights into site dynamics and to introduce the basic concepts and techniques of rule-based modeling. The book is divided into three parts. The first part covers the biological significance and physical chemistry of site dynamics. The second part provides an introduction to the essential methodology of rule-based modeling. The third part consists of examples of rule-based modeling capabilities.
Author : Garegin A. Papoian
Publisher : CRC Press
ISBN 13 : 1466576170
Total Pages : 430 pages
Book Rating : 4.4/5 (665 download)
Download or read book Coarse-Grained Modeling of Biomolecules written by Garegin A. Papoian and published by CRC Press. This book was released on 2017-10-30 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The chapters in this book survey the progress in simulating biomolecular dynamics.... The images conjured up by this work are not yet universally loved, but are beginning to bring new insights into the study of biological structure and function. The future will decide whether this scientific movement can bring forth its Picasso or Modigliani." –from the Foreword by Peter G. Wolynes, Bullard-Welch Foundation Professor of Science, Rice University This book highlights the state-of-art in coarse-grained modeling of biomolecules, covering both fundamentals as well as various cutting edge applications. Coarse-graining of biomolecules is an area of rapid advances, with numerous new force fields having appeared recently and significant progress made in developing a systematic theory of coarse-graining. The contents start with first fundamental principles based on physics, then survey specific state-of-art coarse-grained force fields of proteins and nucleic acids, and provide examples of exciting biological problems that are at large scale, and hence, only amenable to coarse-grained modeling. Introduces coarse-grained models of proteins and nucleic acids. Showcases applications such as genome packaging in nuclei and understanding ribosome dynamics Gives the physical foundations of coarse-graining Demonstrates use of models for large-scale assemblies in modern studies Garegin A. Papoian is the first Monroe Martin Associate Professor with appointments in the Department of Chemistry and Biochemistry and the Institute for Physical Science and Technology at the University of Maryland.
Author : Seth Joel Corey
Publisher : Springer
ISBN 13 : 1493920952
Total Pages : 403 pages
Book Rating : 4.4/5 (939 download)
Download or read book A Systems Biology Approach to Blood written by Seth Joel Corey and published by Springer. This book was released on 2014-12-06 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: The blood system is multi-scale, from the organism to the organs to cells to intracellular signaling pathways to macromolecule interactions. Blood consists of circulating cells, cellular fragments (platelets and microparticles), and plasma macromolecules. Blood cells and their fragments result from a highly-ordered process, hematopoiesis. Definitive hematopoiesis occurs in the bone marrow, where pluripotential stem cells give rise to multiple lineages of highly specialized cells. Highly-productive and continuously regenerative, hematopoiesis requires a microenvironment of mesenchymal cells and blood vessels. A Systems Biology Approach to Blood is divided into three main sections: basic components, physiological processes, and clinical applications. Using blood as a window, one can study health and disease through this unique tool box with reactive biological fluids that mirrors the prevailing hemodynamics of the vessel walls and the various blood cell types. Many blood diseases, rare and common can and have been exploited using systems biology approaches with successful results and therefore ideal models for systems medicine. More importantly, hematopoiesis offers one of the best studied systems with insight into stem cell biology, cellular interaction, development; linage programing and reprograming that are every day influenced by the most mature and understood regulatory networks.
Author : Anirvan M. Sengupta
Publisher :
ISBN 13 : 9780198568049
Total Pages : 208 pages
Book Rating : 4.5/5 (68 download)
Download or read book Modeling Biomolecular Networks written by Anirvan M. Sengupta and published by . This book was released on 2008 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the essentials of a mathematical description of the dynamics of biochemical networks. It covers both deterministic and stochastic aspects of the dynamics. After providing a brief introduction to basic molecular biology, the book describes fundamentals of chemical kinetics. The chapter on signal transduction makes contact with ideas from feedback circuit analysis and signal processing. The chapter on switches and oscillators analyses in detail biological examples, both natural and synthetic. Excitable systems are introduced and contrasted with oscillators. The last chapter deals with pattern formation and development and brings us to current questions of robustness of performance of developmental networks. The book provides brief introductions to some of the mathematical tools required in the main text and in a dedicated appendix. The emphasis, throughout, is on understanding of the essential dynamical aspects rather than just on recipes to build complex models.
Author : Vasudevan Ramesh
Publisher : John Wiley & Sons
ISBN 13 : 1119483964
Total Pages : 576 pages
Book Rating : 4.1/5 (194 download)
Download or read book Biomolecular and Bioanalytical Techniques written by Vasudevan Ramesh and published by John Wiley & Sons. This book was released on 2019-06-10 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Xiakun Chu
Publisher : Frontiers Media SA
ISBN 13 : 2889719928
Total Pages : 164 pages
Book Rating : 4.8/5 (897 download)
Download or read book Advanced Sampling and Modeling in Molecular Simulations for Slow and Large-Scale Biomolecular Dynamics written by Xiakun Chu and published by Frontiers Media SA. This book was released on 2022-01-07 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt:
