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Focus on Structural Biology

Guide to Biomolecular Simulations

Authors: Becker, Oren M., Karplus, Martin

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  • Computer simulations have become a standard tool for exploring biomolecules, often in conjunction with experimentally derived data
  • Introductory self-contained course by which students with a relatively limited background in chemistry, biology and computer literacy, can learn the fundamentals of biomolecular simulations
  • The material on which the Hands-On Guide is based was developed and tested at Harvard University during the last 15 years
  • Integrated exercises that involve the use of one of the premiere molecular dynamics programs CHARMM and the widely used graphics program CHARMM
  • The fact that the programs used are widely distributed and generally available makes an introduction to them of importance for the future research career of students
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書籍の購入

イーブック ¥10,889
価格の適用国: Japan (日本円価格は個人のお客様のみ有効) (小計)
  • ISBN 978-1-4020-3587-6
  • ウォーターマーク付、 DRMフリー
  • ファイル形式: PDF
  • どの電子書籍リーダーからでもすぐにお読みいただけます。
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ソフトカバー ¥14,051
価格の適用国: Japan (日本円価格は個人のお客様のみ有効) (小計)
  • ISBN 978-94-017-7635-6
  • 個人のお客様には、世界中どこでも配送料無料でお届けします。
  • Usually dispatched within 3 to 5 business days.
この教本について

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.

レビュー

From the reviews:

"The Guide to Biomolecular Simulations intends to provide students and nonexperts with an introductory, self-contained course about the application of molecular dynamics and related methodologies. The book emerged from a biophysics course held at Harvard in the 1990s and is therefore suited for standalone self-study as well as for classroom use … . And finally, a reader who successfully worked through the book obtained significant experience in using CHARMM, one of the most widely used molecular dynamics packages in biomolecular simulations." (Anselm H. C. Horn, Journal of Chemical Information and Modeling, Vol. 46 (6), 2006)


Table of contents (17 chapters)

Table of contents (17 chapters)
  • Introduction: Note to the Student

    Pages 1-2

  • Introduction: Note to the Instructor

    Pages 3-3

  • Introduction: UNIX

    Pages 4-9

  • Introduction: CHARMM Primer

    Pages 10-17

  • Introduction: CHARMM Template Files

    Pages 18-18

書籍の購入

イーブック ¥10,889
価格の適用国: Japan (日本円価格は個人のお客様のみ有効) (小計)
  • ISBN 978-1-4020-3587-6
  • ウォーターマーク付、 DRMフリー
  • ファイル形式: PDF
  • どの電子書籍リーダーからでもすぐにお読みいただけます。
  • ご購入後、すぐにダウンロードしていただけます。
ソフトカバー ¥14,051
価格の適用国: Japan (日本円価格は個人のお客様のみ有効) (小計)
  • ISBN 978-94-017-7635-6
  • 個人のお客様には、世界中どこでも配送料無料でお届けします。
  • Usually dispatched within 3 to 5 business days.
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書誌情報

Bibliographic Information
Book Title
Guide to Biomolecular Simulations
Authors
Series Title
Focus on Structural Biology
Series Volume
4
Copyright
2006
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
イーブック ISBN
978-1-4020-3587-6
DOI
10.1007/1-4020-3587-X
ソフトカバー ISBN
978-94-017-7635-6
Series ISSN
1571-4853
Edition Number
1
Number of Pages
IX, 203
Topics