Computer simulation of biomolecular systems : theoretical and experimental application
著者
書誌事項
Computer simulation of biomolecular systems : theoretical and experimental application
ESCOM Science, 1989-
- [v. 1]
- v. 2
- v. 3
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注記
v. 1: Proceedings of two colloquia organized by Alliant Computer Systems Corporation, December 16-18, 1987, Princeton, New Jersey, USA. and April 20-23,1988, Amsterdam, Netherlands
v. 2-3: edited by Wilfred F. van Gunsteren, Paul K. Weiner and Anthony J. Wilkinson
v. 3:"Publishe under the Kluwer, ESCOM imprint by Kluwer Academic Publishers"
内容説明・目次
- 巻冊次
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v. 2 ISBN 9789072199157
内容説明
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.
- 巻冊次
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v. 3 ISBN 9789072199256
内容説明
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." ...
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