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| Author | : W.F. van Gunsteren |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 633 |
| Release | : 2013-11-27 |
| Genre | : Technology & Engineering |
| ISBN | : 9401711208 |
Download Computer Simulation of Biomolecular Systems Book in PDF, ePub and Kindle
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 | : W.F. van Gunsteren |
| Publisher | : Springer |
| Total Pages | : 628 |
| Release | : 1994-01-31 |
| Genre | : Technology & Engineering |
| ISBN | : 9789072199157 |
Download Computer Simulation of Biomolecular Systems Book in PDF, ePub and Kindle
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 involving 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. Now that molecular dynamics of macromolecules is a flourishing field, serious questions have to be asked concerning what more can be done with the methodology. What is the present and the future role of molecular dynamics in the development of our knowledge of macromolecules of biological interest? How does the methodology need to be improved to make it applicable to important problems? The present volume is concerned with providing some answers with its primary focus on the methodology and its recent developments.
| Author | : Benoit Roux |
| Publisher | : World Scientific |
| Total Pages | : 209 |
| Release | : 2021-08-23 |
| Genre | : Computers |
| ISBN | : 9811232776 |
Download Computational Modeling And Simulations Of Biomolecular Systems Book in PDF, ePub and Kindle
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 | : David L. Beveridge |
| Publisher | : |
| Total Pages | : 328 |
| Release | : 1986 |
| Genre | : Science |
| ISBN | : |
Download Computer Simulation of Chemical and Biomolecular Systems Book in PDF, ePub and Kindle
| Author | : Benoît Roux |
| Publisher | : |
| Total Pages | : 209 |
| Release | : 2021 |
| Genre | : Electronic books |
| ISBN | : 9789811232763 |
Download Computational Modeling And Simulations Of Biomolecular Systems Book in PDF, ePub and Kindle
| Author | : Gregory A. Voth |
| Publisher | : CRC Press |
| Total Pages | : 492 |
| Release | : 2008-09-22 |
| Genre | : Science |
| ISBN | : 1420059564 |
Download Coarse-Graining of Condensed Phase and Biomolecular Systems Book in PDF, ePub and Kindle
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.
| Author | : Vasudevan Ramesh |
| Publisher | : John Wiley & Sons |
| Total Pages | : 576 |
| Release | : 2019-06-10 |
| Genre | : Science |
| ISBN | : 1119483964 |
Download Biomolecular and Bioanalytical Techniques Book in PDF, ePub and Kindle
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 | : Nikolay V Dokholyan |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 360 |
| Release | : 2012-02-12 |
| Genre | : Science |
| ISBN | : 1461421454 |
Download Computational Modeling of Biological Systems Book in PDF, ePub and Kindle
Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.
| Author | : Oren M. Becker |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 225 |
| Release | : 2006-06-26 |
| Genre | : Science |
| ISBN | : 140203587X |
Download Guide to Biomolecular Simulations Book in PDF, ePub and Kindle
Molecular dynamics simulations have become instrumental in replacing our view of proteins as relatively rigid structures with the realization that they were dynamic systems, whose internal motions play a functional role. Over the years, such simulations have become a central part of biophysics. Applications of molecular dynamics in biophysics range over many areas. They are used in the structure determination of macromolecules with x-ray and NMR data, the modelling of unknown structures from their sequence, the study of enzyme mechanisms, the estimation of ligand-binding free energies, the evaluation of the role of conformational change in protein function, and drug design for targets of known structures. The widespread application of molecular dynamics and related methodologies suggests that it would be useful to have available an introductory self-contained course by which students with a relatively limited background in chemistry, biology and computer literacy, can learn the fundamentals of the field. This Guide to Biomolecular Simulations tries to fill this need. The Guide consists of six chapters which provide the fundamentals of the field and six chapters which introduce the reader to more specialized but important applications of the methodology.
| Author | : Luca Monticelli |
| Publisher | : Humana Press |
| Total Pages | : 0 |
| Release | : 2012-10-04 |
| Genre | : Science |
| ISBN | : 9781627030168 |
Download Biomolecular Simulations Book in PDF, ePub and Kindle
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.
