Computer Simulations of Aggregation of Proteins and Peptides

Author:   Mai Suan Li ,  Andrzej Kloczkowski ,  Marek Cieplak ,  Maksim Kouza
Publisher:   Springer-Verlag New York Inc.
Edition:   1st ed. 2022
Volume:   2340
ISBN:  

9781071615454


Pages:   478
Publication Date:   16 February 2022
Format:   Hardback
Availability:   Manufactured on demand   Availability explained
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Computer Simulations of Aggregation of Proteins and Peptides


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Author:   Mai Suan Li ,  Andrzej Kloczkowski ,  Marek Cieplak ,  Maksim Kouza
Publisher:   Springer-Verlag New York Inc.
Imprint:   Springer-Verlag New York Inc.
Edition:   1st ed. 2022
Volume:   2340
Weight:   1.114kg
ISBN:  

9781071615454


ISBN 10:   1071615459
Pages:   478
Publication Date:   16 February 2022
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Manufactured on demand   Availability explained
We will order this item for you from a manufactured on demand supplier.

Table of Contents

Bioinformatics Methods in Predicting Amyloid Propensity of Peptides and Proteins.- Protocols for Rational Design of Protein Solubility and Aggregation Properties using Aggrescan3D Standalone.- Using Surface Hydrophobicity Together with Empirical Potentials to Identify Protein-Protein Binding Sites. Application to the Interactions of E-cadherins.- Computational Models for Study of Protein Aggregation.- Probing Protein Aggregation Using the Coarse-Grained UNRES Force Field.- Contact-based Analysis of Aggregation of Intrinsically Disordered Proteins.- Molecular Insights into the Effect of Metals on Amyloid Aggregation.- From Quantum Mechanics, Classical Mechanics and Bioinformatics to Artificial Intelligence Studies in Neurodegenerative Diseases.- Computer Simulations Aimed at Exploring Protein Aggregation and Dissociation.- All-atom Molecular Dynamics Simulation Methods for Aggregation of Protein and Peptides: Replica-exchange/permutationand Nonequilibrium Simulations.- Key Factors Controlling Fibril Formation of Proteins- Determination of the Most Stable Packing Of Peptides From Ribosomal S1 Protein, Protein Bgl2p and Aβ peptide in β-layers during Molecular Dynamics Simulations.- Molecular Dynamics Simulations Of Protein Aggregation: Protocols For Simulation Setup and Analysis with Markov State Models And Transition Networks.- Challenges in Experimental Methods.- Aggregates Sealed By Ions.- Modifying Amyloid Motif Aggregation through Local Structure.- Assessing the Stability Of Biological Fibrils By Molecular-Scale Simulations.- Predictive Modeling of Neurotoxic α-Synuclein Polymorphs.- Characterization of Amyloidogenic Peptide Aggregability in Helical Subspace.- Exploration of Protein Aggregations in Parkinson’s Disease through Computational Approaches and Big Data Analytics.- Computational Studies of Protein Aggregation In Preeclampsia.- Final remarks.

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