Docking Screens for Drug Discovery
Editors: de Azevedo Jr., Walter Filgueira (Ed.)
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- Provides step-by-step detail essential for reproducible results
- Contains key implementation advice from the experts
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- About this book
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This book focuses on recent developments in docking simulations for target proteins with chapters on specific techniques or applications for docking simulations, including the major docking programs. Additionally, the volume explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Written for the highly successful Methods in Molecular Biology series, this collection presents the kind of detail and key implementation advice to ensure successful results.
Authoritative and practical, Docking Screens for Drug Discovery aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery.
- Table of contents (17 chapters)
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Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity
Pages 1-12
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Integrating Molecular Docking and Molecular Dynamics Simulations
Pages 13-34
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How Docking Programs Work
Pages 35-50
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SAnDReS: A Computational Tool for Docking
Pages 51-65
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Electrostatic Energy in Protein–Ligand Complexes
Pages 67-77
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Table of contents (17 chapters)
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Bibliographic Information
- Bibliographic Information
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- Book Title
- Docking Screens for Drug Discovery
- Editors
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- Walter Filgueira de Azevedo Jr.
- Series Title
- Methods in Molecular Biology
- Series Volume
- 2053
- Copyright
- 2019
- Publisher
- Humana Press
- Copyright Holder
- Springer Science+Business Media, LLC, part of Springer Nature
- eBook ISBN
- 978-1-4939-9752-7
- DOI
- 10.1007/978-1-4939-9752-7
- Hardcover ISBN
- 978-1-4939-9751-0
- Softcover ISBN
- 978-1-4939-9754-1
- Series ISSN
- 1064-3745
- Edition Number
- 1
- Number of Pages
- XVII, 286
- Number of Illustrations
- 153 b/w illustrations, 10 illustrations in colour
- Topics
