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

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https://doi.org/10.1007/978-3-86226-898-6d on a number of factors such as the presence of short peptides and population of fibril-prone conformations. Specific applications of atomistic simulations in explicit solvent to address these two issues are discussed.

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Modeling of Electrostatic Effects in Macromoleculesree energies of macromolecular conformations taking into account equilibrium interactions with water solvent and proton bath, while the explicit solvent approach is unable to do that due to the need to account for a large number of solvent degrees of freedom and long-range nature of the electrostati

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Explicit-Solvent All-Atom Molecular Dynamics of Peptide Aggregationd on a number of factors such as the presence of short peptides and population of fibril-prone conformations. Specific applications of atomistic simulations in explicit solvent to address these two issues are discussed.

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Adam LiwoComprehensive introduction to modern methods and techniques for simulating and modeling biological systems.Thoroughly revised and updated second edition.Offers a truly multidisciplinary perspective on

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Springer Series on Bio- and Neurosystemshttp://image.papertrans.cn/c/image/232804.jpg

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