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Titlebook: Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes; From Bioinformatics Adam Liwo Book 2

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书目名称Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes
副标题From Bioinformatics
编辑Adam Liwo
视频video
概述Comprehensive introduction to modern methods and techniques for simulating and modeling biological systems.Thoroughly revised and updated second edition.Offers a truly multidisciplinary perspective on
丛书名称Springer Series on Bio- and Neurosystems
图书封面Titlebook: Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes; From Bioinformatics  Adam Liwo Book 2
描述.This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research..
出版日期Book 2019Latest edition
关键词Bioinformatics methods; Amyloid formation and stability; Coarse-grained models of protein structure; Co
版次2
doihttps://doi.org/10.1007/978-3-319-95843-9
isbn_ebook978-3-319-95843-9Series ISSN 2520-8535 Series E-ISSN 2520-8543
issn_series 2520-8535
copyrightSpringer Nature Switzerland AG 2019
The information of publication is updating

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Modeling of Electrostatic Effects in MacromoleculesThe unique property of electrostatic forces is it’s long-range character. Therefore an accurate modeling of the long-range electrostatic interactions and related energy of macromolecule in an aqueous solvent at given temperature, salt and hydrogen ion concentration is the long-standing problem. One
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Optimizations of Protein Force Fieldsields and present some extensions of the conventional ones. We then present various methods for force-field parameter optimizations. Finally, some examples of our applications of these parameter optimization methods are given and they are compared with the results from the existing force fields.
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Enhanced Sampling for Biomolecular Simulationsenergy landscapes of biological systems leading to poor convergences already in folding simulations of single proteins. In this chapter we discuss a few strategies to enhance sampling in biomolecular simulations, and present some recent applications.
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Mechanostability of Virus Capsids and Their Proteins in Structure-Based Coarse-Grained Models to study properties of selected proteins that are found in virus capsids, such as in CCMV and its mutant. We characterize their folding kinetics and force-displacement curves obtained during stretching. The stretching curves are shown to be sensitive to the mutations. We make a short review of poss
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