Molecular Modeling at the Atomic Scale
Methods and Applications in Quantitative Biology
1st Edition
Published on 21. August 2014
388 pages
978-1-040-07779-5 (ISBN)
Description
Although molecular modeling has been around for a while, the groundbreaking advancement of massively parallel supercomputers and novel algorithms for parallelization is shaping this field into an exciting new area. Developments in molecular modeling from experimental and computational techniques have enabled a wide range of biological applications.
More details
Series
Edition
1. Auflage
Language
English
Place of publication
London
United Kingdom
Publishing group
Taylor & Francis Ltd
Target group
College/higher education
ISBN-13
978-1-040-07779-5 (9781040077795)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions
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06/2020
1st Edition
CRC Press
€103.30
Shipment within 15-20 days
Book
08/2014
1st Edition
CRC Press
€182.50
Shipment within 15-20 days
Content
Introduction. I. Advanced Simulation Techniques. Novel sampling algorithms for molecular dynamics. Advanced free energy perturbation techniques. Massively parallel supercomputers and software for molecular dynamics. Development of modern polarizable force fields. MM-QM methods for enzymatic reactions. II. Self-Assembly of Biomolecules. Protein folding dynamics and pathways. Folding kinetics with Markov State Models. RNA folding. Misfolding and aggregation. III. Biomolecular Interactions. Protein-protein interactions. Protein-nanoparticle interactions. Ligand-receptor binding. RNA(DNA)-protein interactions. IV. Other Applications in Molecular Biology. Modeling of DNA sequencing with nanopore. Biological (confined) water dynamics. Enzymatic reaction pathways.
