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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 | : |
Total Pages | : 648 |
Release | : 2014-09-01 |
Genre | : |
ISBN | : 9789401711210 |
Download Computer Simulation of Biomolecular Systems Book in PDF, ePub and Kindle
Author | : Alliant Computer Systems Corporation |
Publisher | : Springer |
Total Pages | : 240 |
Release | : 1989-02-28 |
Genre | : Computers |
ISBN | : |
Download Computer Simulation of Biomolecular Systems Book in PDF, ePub and Kindle
Author | : W.F. van Gunsteren |
Publisher | : Springer |
Total Pages | : 634 |
Release | : 1994-01-31 |
Genre | : Computers |
ISBN | : |
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 | : Wilfred F. van Gunsteren |
Publisher | : |
Total Pages | : 224 |
Release | : 1989 |
Genre | : |
ISBN | : |
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Author | : David L. Beveridge |
Publisher | : |
Total Pages | : 307 |
Release | : 1986 |
Genre | : |
ISBN | : 9780897663601 |
Download Computer simulation of chemical and biomolecular systems Book in PDF, ePub and Kindle
Author | : W.F. van Gunsteren |
Publisher | : Springer |
Total Pages | : 232 |
Release | : 1989-02-28 |
Genre | : Technology & Engineering |
ISBN | : 9789072199034 |
Download Computer Simulation of Biomolecular Systems Book in PDF, ePub and Kindle
Author | : David L. Beveridge |
Publisher | : |
Total Pages | : 307 |
Release | : 1986 |
Genre | : |
ISBN | : |
Download Computer Simulation of Chemical and Biochemical and Biomolecular Systems Book in PDF, ePub and Kindle
Author | : Johannes Dietschreit |
Publisher | : |
Total Pages | : |
Release | : 2020 |
Genre | : |
ISBN | : |
Download Advanced Techniques for the Computer Simulation and Analysis of Biomolecular Systems Book in PDF, ePub and Kindle