Computational Methods for Estimating the Kinetic Parameters of Biological Systems
Overview
1. Current Approaches of Building Mechanistic Pharmacodynamic Drug-Target Binding Models Jingyi Liang, Vi Ngoc-Nha Tran, Colin Hemez, and Pia Abel zur Wiesch 2. An Extended Model Including Target Turnover, Ligand-Target Complex Kinetics, and Binding Properties to Describe Drug-Receptor Interactions Lambertus A. Peletier 3. Beyond the Michaelis-Menten: Bayesian Inference for Enzyme Kinetic Analysis Hyukpyo Hong, Boseung Choi, and Jae Kyoung Kim 4. Multi-Objective Optimization Tuning Framework for Kinetic Parameter Selection and Estimation Yadira Boada, Jes s Pic , and Alejandro Vignoni 5. Relationship between Dimensionality and Convergence of Optimization Algorithms: A Comparison between Data-Driven Normalization and Scaling Factor-Based Methods Using PEPSSBI Andrea Degasperi, Lan K. Nguyen, Dirk Fey, and Boris N. Kholodenko 6. Dynamic Optimization Approach to Estimate Kinetic Parameters of Monod-Based Microalgae Growth Models Siti S. Jamaian, Fathul H. Zulkifli, and Kim S. Ling 7. Automatic Assembly and Calibration of Models of Enzymatic Reactions Based on Ordinary Differential Equations Jure Stojan, Milan Hodosček, and Dusanka Janezič 8. Data Processing to Probe the Cellular Hydrogen Peroxide Landscape Fernando Antunes and Paula Brito 9. Computational Methods for Structure-Based Drug Design through Systems Biology Aman Chandra Kaushik, Shakti Sahi, and Dong-Qing Wei 10. Model Setup and Procedures for Prediction of Enzyme Reaction Kinetics with QM-Only and QM: MM Approaches Michal Glanowski, Sangita Kachhap, Tomasz Borowski, and Maciej Szaleniec 11. The Role of Ligand Rebinding and Facilitated Dissociation on the Characterization of Dissociation Rates by Surface Plasmon Resonance (SPR) and Benchmarking Performance Metrics Aykut Erbaş and Fatih Inci 12. Computational Tools for Accurate Binding Free Energy Prediction Maria M. Reif and Martin Zacharias 13. Computational Alanine Scanning Reveals Common Features of TCR/pMHC Recognition in HLA-DQ8-Associated Celiac Disease Linqiong Qiu, Jianing Song, and John Z.H. Zhang 14. Umbrella Sampling-Based Method to Compute Ligand-Binding Affinity Son Tung Ngo and Minh Quan Pham 15. Creating Maps of the Ligand Binding Landscape for Kinetics-Based Drug Discovery Tom Dixon, Samuel D. Lotz, and Alex Dickson 16. Prediction of Protein-Protein Binding Affinities from Unbound Protein Structures &nb
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Details
- ISBN-13: 9781071617663
- ISBN-10: 1071617664
- Publisher: Humana
- Publish Date: December 2021
- Dimensions: 10.3 x 7.2 x 0.9 inches
- Shipping Weight: 1.8 pounds
- Page Count: 379
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