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Challenges and Advances in Computational Chemistry and Physics

Computational studies of RNA and DNA

Editors: Šponer, Jirí, Lankaš, Filip (Eds.)

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eBook 214,19 €
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  • ISBN 978-1-4020-4851-7
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Hardcover 291,19 €
price for Spain (gross)
  • ISBN 978-1-4020-4794-7
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Softcover 272,14 €
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  • ISBN 978-90-481-7195-8
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About this book

Computational Studies of RNA and DNA

Jiri Sponer and Filip Lankas

 

Computational Studies of RNA and DNA includes, in an integrated way, modern computational studies of nucleic acids, ranging from advanced electronic structure quantum chemical calculations through explicit solvent molecular dynamics (MD) simulations up to mesoscopic modelling, with the main focus given to the MD field. It gives an equal emphasis to the leading methods and applications while successes as well as pitfalls of the computational techniques are discussed.

The systems and problems studied include:

  • Accurate calculations of base pairing energies
  • Electronic properties of nucleic acids and electron transfer, through various types of nucleic acid
  • Calculating DNA elasticity

This book is ideally suited to academics and researchers in organic and computational chemistry as well as biochemistry and particularly those interested in the molecular modelling of nucleic acids.

Besides the state-of-the art science, the book also provides introductory information to non-specialists to enter and understand this field.

Table of contents (24 chapters)

Table of contents (24 chapters)
  • Basics of Nucleic Acid Structure

    Pages 1-44

    Schneider, Bohdan (et al.)

  • Using Amber to Simulate DNA and RNA

    Pages 45-71

    Cheatham, Thomas E., III (et al.)

  • Theoretical Studies of Nucleic Acids and Nucleic Acid-Protein Complexes using Charmm

    Pages 73-94

    MacKerell, Alexander D., Jr. (et al.)

  • Continuum Solvent Models to Study the Structure and Dynamics of Nucleic Acids and Complexes with Ligands

    Pages 95-119

    Zacharias, Martin

  • Data Mining of Molecular Dynamic Trajectories of Nucleic Acids

    Pages 121-145

    Orozco, Modesto (et al.)

Buy this book

eBook 214,19 €
price for Spain (gross)
  • ISBN 978-1-4020-4851-7
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 291,19 €
price for Spain (gross)
  • ISBN 978-1-4020-4794-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
Softcover 272,14 €
price for Spain (gross)
  • ISBN 978-90-481-7195-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
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Bibliographic Information

Bibliographic Information
Book Title
Computational studies of RNA and DNA
Editors
  • Jirí Šponer
  • Filip Lankaš
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
2
Copyright
2006
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-1-4020-4851-7
DOI
10.1007/978-1-4020-4851-3
Hardcover ISBN
978-1-4020-4794-7
Softcover ISBN
978-90-481-7195-8
Series ISSN
2542-4491
Edition Number
1
Number of Pages
XII, 638
Topics