Docking screens for drug discovery:
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 result...
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| Other Authors: | |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
New York, NY
Springer New York
2019
|
| Edition: | 1st ed. 2019 |
| Series: | Methods in Molecular Biology
2053 |
| Subjects: | |
| Online Access: | UBR01 TUM01 Volltext |
| Summary: | 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 |
| Item Description: | Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity -- Integrating Molecular Docking and Molecular Dynamics Simulations -- How Docking Programs Work -- SAnDReS: A Computational Tool for Docking -- Electrostatic Energy in Protein-Ligand Complexes -- Van der Waals Potential in Protein Complexes -- Hydrogen-Bonds in Protein-Ligand Complexes -- Molecular Dynamics Simulations with NAMD2 -- Docking with AutoDock4 -- Molegro Virtual Docker for Docking -- Docking with GemDock -- Docking with SwissDock -- Molecular Docking Simulations with ArgusLab -- Web Services for Molecular Docking Simulations -- Homology Modeling of Protein Targets with MODELLER -- Machine Learning to Predict Binding Affinity -- Exploring the Scoring Function Space |
| Physical Description: | 1 Online-Ressource (XVII, 286 Seiten) Illustrationen |
| ISBN: | 9781493997527 |
| DOI: | 10.1007/978-1-4939-9752-7 |
Staff View
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| dewey-full | 615 |
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| dewey-ones | 615 - Pharmacology and therapeutics |
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| doi_str_mv | 10.1007/978-1-4939-9752-7 |
| edition | 1st ed. 2019 |
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| id | DE-604.BV047645504 |
| illustrated | Not Illustrated |
| index_date | 2024-07-03T18:48:39Z |
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| institution | BVB |
| isbn | 9781493997527 |
| language | English |
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| physical | 1 Online-Ressource (XVII, 286 Seiten) Illustrationen |
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| publisher | Springer New York |
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| spelling | Docking screens for drug discovery edited by Walter Filgueira de Azevedo Jr 1st ed. 2019 New York, NY Springer New York 2019 1 Online-Ressource (XVII, 286 Seiten) Illustrationen txt rdacontent c rdamedia cr rdacarrier Methods in Molecular Biology 2053 Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity -- Integrating Molecular Docking and Molecular Dynamics Simulations -- How Docking Programs Work -- SAnDReS: A Computational Tool for Docking -- Electrostatic Energy in Protein-Ligand Complexes -- Van der Waals Potential in Protein Complexes -- Hydrogen-Bonds in Protein-Ligand Complexes -- Molecular Dynamics Simulations with NAMD2 -- Docking with AutoDock4 -- Molegro Virtual Docker for Docking -- Docking with GemDock -- Docking with SwissDock -- Molecular Docking Simulations with ArgusLab -- Web Services for Molecular Docking Simulations -- Homology Modeling of Protein Targets with MODELLER -- Machine Learning to Predict Binding Affinity -- Exploring the Scoring Function Space 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 Pharmacology Proteins Bioinformatics Computational biology Filgueira de Azevedo, Walter (DE-588)1195791291 edt Erscheint auch als Druck-Ausgabe 978-1-4939-9754-1 https://doi.org/10.1007/978-1-4939-9752-7 Verlag URL des Erstveröffentlichers Volltext |
| spellingShingle | Docking screens for drug discovery Pharmacology Proteins Bioinformatics Computational biology |
| title | Docking screens for drug discovery |
| title_auth | Docking screens for drug discovery |
| title_exact_search | Docking screens for drug discovery |
| title_exact_search_txtP | Docking screens for drug discovery |
| title_full | Docking screens for drug discovery edited by Walter Filgueira de Azevedo Jr |
| title_fullStr | Docking screens for drug discovery edited by Walter Filgueira de Azevedo Jr |
| title_full_unstemmed | Docking screens for drug discovery edited by Walter Filgueira de Azevedo Jr |
| title_short | Docking screens for drug discovery |
| title_sort | docking screens for drug discovery |
| topic | Pharmacology Proteins Bioinformatics Computational biology |
| topic_facet | Pharmacology Proteins Bioinformatics Computational biology |
| url | https://doi.org/10.1007/978-1-4939-9752-7 |
| work_keys_str_mv | AT filgueiradeazevedowalter dockingscreensfordrugdiscovery |