Methods in Molecular Biology

Biomolecular Simulations

Methods and Protocols

Editors: Monticelli, Luca, Salonen, Emppu (Eds.)

  • Illustrates methods commonly used in molecular modeling of biological systems
  • Provides step-by-step detail essential for reproducible results
  • Contains key notes and implementation advice from the experts
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About this book

Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to studies of complex, chemically heterogeneous biological systems consisting of millions of atoms, with the simulation time scales spanning up to milliseconds. In Biomolecular Simulations: Methods and Protocols, expert researchers illustrate many of the methods commonly used in molecular modelling of biological systems, including methods for electronic structure calculations, classical molecular dynamics simulations and coarse-grained techniques. A selection of advanced techniques and recent methodological developments, which rarely find coverage in traditional textbooks, is also introduced.

 

Written in the highly successful Methods in Molecular Biology series format, chapters include general introductions to well-established computational methodologies, applications to real-world biological systems, as well as practical tips and general protocols on carrying out biomolecular simulations. Special emphasis is placed on simulations of proteins, lipids, nucleic acids, and carbohydrates. Authoritative and practical, Biomolecular Simulations: Methods and Protocols seeks to aid scientists in further simulation studies of biological systems.

Table of contents (26 chapters)

  • Ab Initio, Density Functional Theory, and Semi-Empirical Calculations

    Johansson, Mikael P. (et al.)

    Pages 3-27

  • Ab Initio Molecular Dynamics

    Laasonen, Kari

    Pages 29-42

  • Introduction to QM/MM Simulations

    Groenhof, Gerrit

    Pages 43-66

  • Computational Enzymology

    Lodola, Alessio (et al.)

    Pages 67-89

  • QM and QM/MM Simulations of Proteins

    Steinbrecher, Thomas (et al.)

    Pages 91-124

Buy this book

eBook n/a
  • ISBN 978-1-62703-017-5
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
Hardcover n/a
  • ISBN 978-1-62703-016-8
  • Free shipping for individuals worldwide
Softcover n/a
  • ISBN 978-1-4939-5891-7
  • Free shipping for individuals worldwide
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Bibliographic Information

Bibliographic Information
Book Title
Biomolecular Simulations
Book Subtitle
Methods and Protocols
Editors
  • Luca Monticelli
  • Emppu Salonen
Series Title
Methods in Molecular Biology
Series Volume
924
Copyright
2013
Publisher
Humana Press
Copyright Holder
Springer Science+Business Media New York
eBook ISBN
978-1-62703-017-5
DOI
10.1007/978-1-62703-017-5
Hardcover ISBN
978-1-62703-016-8
Softcover ISBN
978-1-4939-5891-7
Series ISSN
1064-3745
Edition Number
1
Number of Pages
XIII, 702
Topics