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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes - From Bioinformatics to Molecular Quantum Mechanics (Paperback, Softcover reprint of the original 1st ed. 2014)
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Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes - From Bioinformatics to Molecular Quantum Mechanics (Paperback, Softcover reprint of the original 1st ed. 2014)
Series: Springer Series in Bio-/Neuroinformatics, 1
Expected to ship within 9 - 17 working days
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Since the second half of the 20th century machine computations have
played a critical role in science and engineering. Computer-based
techniques have become especially important in molecular biology,
since they often represent the only viable way to gain insights
into the behavior of a biological system as a whole. The complexity
of biological systems, which usually needs to be analyzed on
different time- and size-scales and with different levels of
accuracy, requires the application of different approaches, ranging
from comparative analysis of sequences and structural databases, to
the analysis of networks of interdependence between cell components
and processes, through coarse-grained modeling to atomically
detailed simulations, and finally to molecular quantum mechanics.
This book provides a comprehensive overview of modern
computer-based techniques for computing the structure, properties
and dynamics of biomolecules and biomolecular processes. The
twenty-two chapters, written by scientists from all over the world,
address the theory and practice of computer simulation techniques
in the study of biological phenomena. The chapters are grouped into
four thematic sections dealing with the following topics: the
methodology of molecular simulations; applications of molecular
simulations; bioinformatics methods and use of experimental
information in molecular simulations; and selected applications of
molecular quantum mechanics. The book includes an introductory
chapter written by Harold A. Scheraga, one of the true pioneers in
simulation studies of biomacromolecules.
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