Modeling Biomolecular Site Dynamics
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Modeling Biomolecular Site Dynamics
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Author : William S. Hlavacek
language : en
Publisher:
Release Date : 2019
Modeling Biomolecular Site Dynamics written by William S. Hlavacek and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019 with Molecular biology categories.
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.
Rule Based Modeling In Systems Biology
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Author : James Faeder
language : en
Publisher: Chapman & Hall
Release Date : 2015-06-15
Rule Based Modeling In Systems Biology written by James Faeder and has been published by Chapman & Hall this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-06-15 with Medical categories.
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.
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.
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
Computer Simulation Of Biomolecular Systems
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Author : W.F. van Gunsteren
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-27
Computer Simulation Of Biomolecular Systems written by W.F. van Gunsteren 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 2013-11-27 with Technology & Engineering categories.
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." ...
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 Biomolecules categories.
This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.
Computational Modeling And Simulations Of Biomolecular Systems
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Author : Benoit Roux
language : en
Publisher: World Scientific
Release Date : 2021-08-23
Computational Modeling And Simulations Of Biomolecular Systems written by Benoit Roux and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-08-23 with Computers categories.
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).
Biomolecular Simulations
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Author : Luca Monticelli
language : en
Publisher: Humana Press
Release Date : 2012-10-04
Biomolecular Simulations written by Luca Monticelli and has been published by Humana Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-10-04 with Science categories.
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.
Innovations In Biomolecular Modeling And Simulations
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Author : Tamar Schlick
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012-05-24
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 2012-05-24 with Science categories.
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.
Biomolecular Structure And Dynamics
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Author : G. Vergoten
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Biomolecular Structure And Dynamics written by G. Vergoten 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 2012-12-06 with Science categories.
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.