Computer Simulation Of Chemical And Biomolecular Systems
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Computer Simulation Of Chemical And Biomolecular Systems
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Author : David L. Beveridge
language : en
Publisher:
Release Date : 1986
Computer Simulation Of Chemical And Biomolecular Systems written by David L. Beveridge and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986 with categories.
Computer Simulation Of Biomolecular Systems
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Author : W.F. van Gunsteren
language : en
Publisher: Springer Science & Business Media
Release Date : 1997-11-30
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 1997-11-30 with Science categories.
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.
Computer Simulation Of Biomolecular Systems
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Author : Alliant Computer Systems Corporation
language : en
Publisher: Springer
Release Date : 1989-02-28
Computer Simulation Of Biomolecular Systems written by Alliant Computer Systems Corporation and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989-02-28 with Computers categories.
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." ...
Computer Simulation Of Chemical And Biochemical And Biomolecular Systems
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Author : David L. Beveridge
language : en
Publisher:
Release Date : 1986
Computer Simulation Of Chemical And Biochemical And Biomolecular Systems written by David L. Beveridge and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986 with categories.
Computer Simulation Of Biomolecular Systems
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Author : W.F. van Gunsteren
language : en
Publisher: Springer
Release Date : 1994-01-31
Computer Simulation Of Biomolecular Systems written by W.F. van Gunsteren and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-01-31 with Computers categories.
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.
Computer Simulation Of Biomolecular Systems
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Author : W.F. van Gunsteren
language : en
Publisher: Springer
Release Date : 1989-02-28
Computer Simulation Of Biomolecular Systems written by W.F. van Gunsteren and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989-02-28 with Technology & Engineering categories.
Current Catalog
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Author : National Library of Medicine (U.S.)
language : en
Publisher:
Release Date :
Current Catalog written by National Library of Medicine (U.S.) and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on with Medicine categories.
First multi-year cumulation covers six years: 1965-70.
Expert Systems Decision Support Systems And Computer Assisted Instruction For Water Resource Management
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Author : Bonnie Emmert
language : en
Publisher:
Release Date : 1993
Expert Systems Decision Support Systems And Computer Assisted Instruction For Water Resource Management written by Bonnie Emmert and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Computer-assisted instruction categories.
National Library Of Medicine Current Catalog
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Author : National Library of Medicine (U.S.)
language : en
Publisher:
Release Date : 1988
National Library Of Medicine Current Catalog written by National Library of Medicine (U.S.) and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988 with Medicine categories.