Computer Simulations of Aggregation of Proteins and Peptides / edited by Mai Suan Li, Andrzej Kloczkowski, Marek Cieplak, Maksim Kouza.

Format:

Book

Contributor:

Li, Mai Suan, Editor.

Kloczkowski, Andrzej, Editor.

Cieplak, Marek, Editor.

Kouza, Maksim, Editor.

SpringerLink (Online service)

Series:

Springer Protocols (Springer-12345)

Methods in molecular biology 1940-6029 ; 2340

Methods in Molecular Biology, 1940-6029 ; 2340

Language:

English

Subjects (All):

Life sciences.

Bioinformatics.

Life Sciences.

Local Subjects:

Life Sciences.

Bioinformatics.

Physical Description:

1 online resource (XIII, 478 pages) : 157 illustrations, 150 illustrations in color.

Edition:

1st ed. 2022.

Contained In:

Springer Nature eBook

Place of Publication:

New York, NY : Springer US : Imprint: Humana, 2022.

System Details:

text file PDF

Summary:

This volume provides computational methods and reviews various aspects of computational studies of protein aggregation. Chapters discuss the relationship between protein misfolding and protein aggregation, methods of prediction of aggregation propensities of protein, peptides, protein structure, results of computer simulations of aggregation, and computational simulations focused on specific diseases such as Alzheimer's, Parkinson's, and preeclampsia. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Computer Simulations of Aggregation of Proteins and Peptides aims to ensure successful results in the further study of this vital field.

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/permutation and 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.

Other Format:

Printed edition:

ISBN:

978-1-0716-1546-1

9781071615461

Access Restriction:

Restricted for use by site license.