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008			211209s2022 xxua o |||| 0|eng d
020			_a9781071617670
024	7		_a10.1007/978-1-0716-1767-0 _2doi
040			_aES-MaUEC _bspa _cES-MaUEC _dES-MaUEC
050		4	_aQH324.2 _b2022 EB
245	0	0	_aComputational Methods for Estimating the Kinetic Parameters of Biological Systems _cedited by Quentin Vanhaelen
250			_a1st edition 2022
264		1	_aNew York, NY _bSpringer International Publising _c2022
300			_a1 recurso en línea (XI, 379 páginas) _b105 ilustraciones, 96 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 _v2385
505	0		_aCurrent Approaches of Building Mechanistic Pharmacodynamic Drug-Target Binding Models -- An Extended Model Including Target Turnover, Ligand-Target Complex Kinetics, and Binding Properties to Describe Drug-Receptor Interactions -- Beyond the Michaelis-Menten: Bayesian Inference for Enzyme Kinetic Analysis -- Multi-Objective Optimization Tuning Framework for Kinetic Parameter Selection and Estimation -- Relationship between Dimensionality and Convergence of Optimization Algorithms: A Comparison between Data-Driven Normalization and Scaling Factor-Based Methods Using PEPSSBI -- Dynamic Optimization Approach to Estimate Kinetic Parameters of Monod-Based Microalgae Growth Models -- Automatic Assembly and Calibration of Models of Enzymatic Reactions Based on Ordinary Differential Equations -- Data Processing to Probe the Cellular Hydrogen Peroxide Landscape -- Computational Methods for Structure-Based Drug Design through Systems Biology -- Model Setup and Procedures for Prediction of Enzyme Reaction Kinetics with QM-Only and QM:MM Approaches -- The Role of Ligand Rebinding and Facilitated Dissociation on the Characterization of Dissociation Rates by Surface Plasmon Resonance (SPR) and Benchmarking Performance Metrics -- Computational Tools for Accurate Binding Free Energy Prediction -- Computational Alanine Scanning Reveals Common Features of TCR/pMHC Recognition in HLA-DQ8-Associated Celiac Disease -- Umbrella Sampling-Based Method to Compute Ligand-Binding Affinity -- Creating Maps of the Ligand Binding Landscape for Kinetics-Based Drug Discovery -- Prediction of Protein-Protein Binding Affinities from Unbound Protein Structures -- Parameter Optimization for Ion Channel Models: Integrating New Data with Known Channel Properties.
520			_aThis detailed book provides an overview of various classes of computational techniques, including machine learning techniques, commonly used for evaluating kinetic parameters of biological systems. Focusing on three distinct situations, the volume covers the prediction of the kinetics of enzymatic reactions, the prediction of the kinetics of protein-protein or protein-ligand interactions (binding rates, dissociation rates, binding affinities), and the prediction of relatively large set of kinetic rates of reactions usually found in quantitative models of large biological networks. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of expert implementation advice that leads to successful results. Authoritative and practical, Computational Methods for Estimating the Kinetic Parameters of Biological Systems will be of great interest for researchers working through the challenge of identifying the best type of algorithm and who would like to use or develop a computational method for the estimation of kinetic parameters.
988			_aSpringer_Protocols_2022
650		7	_2embne _9160489 _aBioinformática
776	0	8	_iPrinted edition: _z9781071617663
776	0	8	_iPrinted edition: _z9781071617687
776	0	8	_iPrinted edition: _z9781071617694
856	4	0	_uhttps://go.openathens.net/redirector/universidadeuropea.es?url=https://doi.org/10.1007/978-1-0716-1767-0 _zAcceso a este recurso digital (usuarios Universidad Europea de Madrid)
942			_2lcc _cLE
998			_b07/2023 _dz _eb _zSI