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Biomolecular Simulations: Methods And Protocols (methods In Molecular Biology) [Paperback]

Item : Biomolecular Simulations: Methods And Protocols (methods In Molecular Biology) [Paperback]
List Price  : $199.00
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Category : Books
ISBN-10 ISBN-10 : 1493958917
ISBN-13 ISBN-13 : 9781493958917
Publisher Publisher : Humana Press
Pages Pages : 718
Binding Binding : Paperback
Item ID : 100166374

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.

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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.

This Methods in Molecular Biology volume reviews common methods used in molecular modeling of biological systems, including methods for electronic structure calculations, classical molecular dynamics simulations and coarse-grained techniques.

Part I: Quantum Mechanics Calculations

1. Ab initio, Density Functional Theory, and Semi-empirical Calculations

Mikael P. Johansson, Ville R. I. Kaila and Dage Sundholm

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2. Ab initio Molecular Dynamics

Kari Laasonen

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