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008			220215s2022 xxua o |||| 0|eng d
020			_a9781071615461
024	7		_a10.1007/978-1-0716-1546-1 _2doi
040			_aES-MaUEC _bspa _cES-MaUEC _dES-MaUEC
050		4	_aQP551 _b2022 EB
245	0	0	_aComputer Simulations of Aggregation of Proteins and Peptides _cedited by Mai Suan Li, Andrzej Kloczkowski, Marek Cieplak, Maksim Kouza
250			_a1st edition 2022
264		1	_aNew York, NY _bSpringer International Publising _c2022
300			_a1 recurso en línea (XIII, 478 páginas) _b157 ilustraciones, 150 ilustraciones a color
336			_atexto _btxt _2rdacontent
337			_aelectrónico _bc _2rdamedia
338			_arecurso electrónico _bcr _2rdacarrier
347			_aarchivo de texto _bPDF
490	0		_aMethods in Molecular Biology _x1940-6029 _v2340
505	0		_aBioinformatics 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.
520			_aThis 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.
988			_aSpringer_Protocols_2022
650		7	_2embne _9139861 _aProteínas
650		7	_2embne _9147541 _aSimulación por ordenador
776	0	8	_iPrinted edition: _z9781071615454
776	0	8	_iPrinted edition: _z9781071615478
776	0	8	_iPrinted edition: _z9781071615485
856	4	0	_uhttps://go.openathens.net/redirector/universidadeuropea.es?url=https://doi.org/10.1007/978-1-0716-1546-1 _zAcceso a este recurso digital (usuarios Universidad Europea de Madrid)
942			_2lcc _cLE
998			_b07/2023 _dz _eb _zSI