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Erschienen in:
Computational Chemistry: From the Hydrogen Molecule to Nanostructures Kapitel lesen Erstes Kapitel lesen

2017 | OriginalPaper | Buchkapitel

37. Applications of Computational Methods to Simulations of Proteins Dynamics

verfasst von : Wieslaw Nowak

Erschienen in: Handbook of Computational Chemistry

Verlag: Springer International Publishing

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Abstract

The present advanced state of the computer hardware offers superb opportunities for further explorations of protein structure and dynamics. Sound and well-established theoretical models are successfully used for searching new biochemical phenomena, correlations, and protein properties. In this chapter, the fast-growing field of computer simulations of protein dynamics is panoramically presented. The principles of currently used computational methods are briefly outlined, and representative examples of their recent advanced applications are given. In particular protein folding studies, intrinsically disordered proteins, protein-drug interactions, ligand transport phenomena, ion channel activity, molecular machine mechanics, origins of molecular diseases, and simulations of single-molecule AFM experiments are addressed. Special attention is devoted to emerging methods of enhanced molecular dynamics.

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Vorheriges Kapitel Protein Modeling
Nächstes Kapitel Molecular Dynamics and Advanced Sampling Simulations of Nucleic Acids
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Metadaten
Titel
Applications of Computational Methods to Simulations of Proteins Dynamics
verfasst von
Wieslaw Nowak
Copyright-Jahr
2017
Buch
Handbook of Computational Chemistry

Print ISBN: 978-3-319-27281-8

Electronic ISBN: 978-3-319-27282-5

Copyright-Jahr: 2017

DOI
https://doi.org/10.1007/978-3-319-27282-5_31