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  • © 2007

Atomistic Approaches in Modern Biology

From Quantum Chemistry to Molecular Simulations

Editors:

  • This series presents critical reviews of the present position and future trends in modern chemical research
  • Short and concise reports on chemistry, each written by world renowned experts
  • Still valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: springerlink.com

Part of the book series: Topics in Current Chemistry (TOPCURRCHEM, volume 268)

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Table of contents (7 chapters)

  1. Front Matter

    Pages I-XII
  2. Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example

    • Luca Bertini, Maurizio Bruschi, Luca de Gioia, Piercarlo Fantucci, Claudio Greco, Giuseppe Zampella
    Pages 1-46
  3. Theoretical Bioinorganic Spectroscopy

    • Sebastian Sinnecker, Frank Neese
    Pages 47-83
  4. First-Principles Approach to Vibrational Spectroscopy of Biomolecules

    • Carmen Herrmann, Markus Reiher
    Pages 85-132
  5. Car–Parrinello Molecular Dynamics Simulations and Biological Systems

    • Jens Thar, Werner Reckien, Barbara Kirchner
    Pages 133-171
  6. QM/MM Methods for Biological Systems

    • Hans Martin Senn, Walter Thiel
    Pages 173-290
  7. Transition Path Sampling Simulations of Biological Systems

    • Christoph Dellago, Peter G. Bolhuis
    Pages 291-317
  8. Back Matter

    Pages 349-361

Reviews

"From the reviews:"

This book is focused on computational molecular modeling and its applications in biology and is particularly worthwhile in two respects. First, the reader will enjoy broad yet detailed coverage of modern theoretical approaches to the structures, electronic properties, and dynamical behaviour of peptides, metalloenzymes, bioinorganic systems, proteins, and nucleic acids. Also included are excellent methods-oriented chapters focused on Qm/MM methods, Car-Parinello molecular dynamics, and classical dynamics of biomolecules near transition states. Second, the writing and editing are of uniformly high quality. Each chapter is a valuable and timely point of entry to the literature of the subfield of computational chemistry that is being covered. Some chapters focus on the authors’ own contributions, whereas others are broader and more inclusive in scope, but all are extremely well-written and the authors do a great job of placing their own work in a larger context – something often not achieved in review series. … Overall, this volume constitutes an outstanding contribution to the Topics in Current Chemistry series.

(Robert Q. Topper, Monmouth University, JA076953F, 10.1021/ja076953f)

Bibliographic Information

Buy it now

Buying options

eBook USD 259.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 329.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 329.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access