Computer Simulation of Chemical and Biochemical and Biomolecular Systems
Author : David L. Beveridge
Publisher :
Page : 307 pages
File Size : 16,4 MB
Release : 1986
Category :
ISBN :
Computer Simulation of Biomolecular Systems
Author : W.F. van Gunsteren
Publisher : Springer Science & Business Media
Page : 633 pages
File Size : 17,27 MB
Release : 2013-11-27
Category : Technology & Engineering
ISBN : 9401711208
Book Description
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." ...
Computer Simulation of Biomolecular Systems
Author : W.F. van Gunsteren
Publisher : Springer
Page : 628 pages
File Size : 48,1 MB
Release : 1994-01-31
Category : Technology & Engineering
ISBN : 9789072199157
Book Description
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.
Computational Modeling And Simulations Of Biomolecular Systems
Author : Benoit Roux
Publisher : World Scientific
Page : 209 pages
File Size : 38,3 MB
Release : 2021-08-23
Category : Computers
ISBN : 9811232776
Book Description
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).
Computer Simulation of Biomolecular Systems
Author : W.F. van Gunsteren
Publisher : Springer
Page : 634 pages
File Size : 14,90 MB
Release : 1994-01-31
Category : Computers
ISBN :
Book Description
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.
Innovations in Biomolecular Modeling and Simulations
Author : Tamar Schlick
Publisher : Royal Society of Chemistry
Page : 381 pages
File Size : 44,16 MB
Release : 2012-05-24
Category : Science
ISBN : 1849735042
Book Description
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.
Computer Simulation of Chemical and Biomolecular Systems
Author : David L. Beveridge
Publisher :
Page : 328 pages
File Size : 30,27 MB
Release : 1986
Category : Science
ISBN :
Book Description
Computer Simulation of Biomolecular Systems
Author : Alliant Computer Systems Corporation
Publisher : Springer
Page : 240 pages
File Size : 14,16 MB
Release : 1989-02-28
Category : Computers
ISBN :
Book Description
Computer simulation of chemical and biomolecular systems
Author : David L. Beveridge
Publisher :
Page : 307 pages
File Size : 18,4 MB
Release : 1986
Category :
ISBN : 9780897663601
Book Description
Innovations in Biomolecular Modeling and Simulations
Author : Tamar Schlick
Publisher : Royal Society of Chemistry
Page : 355 pages
File Size : 31,77 MB
Release : 2012-05-24
Category : Science
ISBN : 1849735050
Book Description
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.
