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...
Gespeichert in:
| Weitere Verfasser: | |
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| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
New York, NY
Springer New York
2019
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| Ausgabe: | 1st ed. 2019 |
| Schriftenreihe: | Methods in Molecular Biology
2053 |
| Schlagworte: | |
| Online-Zugang: | UBR01 TUM01 Volltext |
| Zusammenfassung: | 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 |
| Beschreibung: | 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 |
| Beschreibung: | 1 Online-Ressource (XVII, 286 Seiten) Illustrationen |
| ISBN: | 9781493997527 |
| DOI: | 10.1007/978-1-4939-9752-7 |
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| dewey-full | 615 |
| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 615 - Pharmacology and therapeutics |
| dewey-raw | 615 |
| dewey-search | 615 |
| dewey-sort | 3615 |
| dewey-tens | 610 - Medicine and health |
| discipline | Medizin |
| discipline_str_mv | Medizin |
| doi_str_mv | 10.1007/978-1-4939-9752-7 |
| edition | 1st ed. 2019 |
| format | Electronic eBook |
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| id | DE-604.BV047645504 |
| illustrated | Not Illustrated |
| index_date | 2024-07-03T18:48:39Z |
| indexdate | 2024-07-10T09:18:10Z |
| institution | BVB |
| isbn | 9781493997527 |
| language | English |
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| physical | 1 Online-Ressource (XVII, 286 Seiten) Illustrationen |
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| publishDate | 2019 |
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| publisher | Springer New York |
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| series2 | Methods in Molecular Biology 2053 |
| 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 |