Docking Screens for Drug Discovery (Record no. 8458)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 05221nam a22006135i 4500 |
| 001 - CONTROL NUMBER | |
| control field | 978-1-0716-4949-7 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | DE-He213 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20260610083721.0 |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr nn 008mamaa |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 251011s2026 xxu| s |||| 0|eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9781071649497 |
| -- | 978-1-0716-4949-7 |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.1007/978-1-0716-4949-7 |
| Source of number or code | doi |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | RM300-666 |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | MMG |
| Source | bicssc |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | MED071000 |
| Source | bisacsh |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | MKG |
| Source | thema |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 615 |
| Edition information | 23 |
| 245 10 - TITLE STATEMENT | |
| Title | Docking Screens for Drug Discovery |
| Medium | [electronic resource] / |
| Statement of responsibility, etc. | edited by Walter Filgueira de Azevedo Jr. |
| 250 ## - EDITION STATEMENT | |
| Edition statement | 2nd ed. 2026. |
| 264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Place of production, publication, distribution, manufacture | New York, NY : |
| Name of producer, publisher, distributor, manufacturer | Springer US : |
| -- | Imprint: Humana, |
| Date of production, publication, distribution, manufacture, or copyright notice | 2026. |
| 300 ## - online resource | |
| Extent | XIV, 314 p. 87 illus., 83 illus. in color. |
| Other physical details | online resource. |
| 336 ## - CONTENT TYPE | |
| Content type term | text |
| Content type code | txt |
| Source | rdacontent |
| 337 ## - MEDIA TYPE | |
| Media type term | computer |
| Media type code | c |
| Source | rdamedia |
| 338 ## - CARRIER TYPE | |
| Carrier type term | online resource |
| Carrier type code | cr |
| Source | rdacarrier |
| 341 0# - ACCESSIBILITY CONTENT | |
| Textual assistive features | PDF/UA-1 |
| Source | onix |
| 341 0# - ACCESSIBILITY CONTENT | |
| Textual assistive features | Table of contents navigation |
| Source | onix |
| 341 0# - ACCESSIBILITY CONTENT | |
| Textual assistive features | Single logical reading order |
| Source | onix |
| 341 0# - ACCESSIBILITY CONTENT | |
| Textual assistive features | Short alternative textual descriptions |
| Source | onix |
| 341 0# - ACCESSIBILITY CONTENT | |
| Textual assistive features | Use of color is not sole means of conveying information |
| Source | onix |
| 341 0# - ACCESSIBILITY CONTENT | |
| Textual assistive features | Use of high contrast between text and background color |
| Source | onix |
| 341 0# - ACCESSIBILITY CONTENT | |
| Textual assistive features | Next / Previous structural navigation |
| Source | onix |
| 341 0# - ACCESSIBILITY CONTENT | |
| Textual assistive features | All non-decorative content supports reading without sight |
| Source | onix |
| 347 ## - DIGITAL FILE CHARACTERISTICS | |
| File type | text file |
| Encoding format | |
| Source | rda |
| 490 1# - SERIES STATEMENT | |
| Series statement | Methods in Molecular Biology, |
| International Standard Serial Number | 1940-6029 ; |
| Volume/sequential designation | 2984 |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | A Primer of SanDReS 2.0 for Scoring Function Design -- Exploring the Scoring Function Space with Lasso Regression -- Combining MVD and Ridge Method to Predict CDK2 Inhibition -- Elastic Net Regression to Predict CDK2 Inhibition -- Gradient Descent to Predict Enzyme Inhibition -- Decision Tree for Prediction of Binding Affinity -- Calculating Enzyme Inhibition with Random Forests -- Extremely Randomized Trees to Determine Binding Affinity -- Hands-On Docking with Molegro Virtual Docker -- Molegro Virtual Docker for Docking Screens -- Molegro Data Modeller for Machine Learning -- Neural Networks with Molegro Data Modeller -- AlphaFold for Docking Screens -- Differential Evolution for Docking Simulations -- Machine Learning to Predict CDK4 Inhibition -- Targeting CDK9 with Molegro Virtual Docker -- CDK7 as a Target for Docking Screens -- Molegro Data Modeller to Estimate CDK6 Inhibition -- Neural Networks to Calculate CDK2 Inhibition -- Tree-Based Methods to Predict Enzyme Inhibition. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | This second edition volume expands on the previous edition with discussions on the latest advancements in artificial intelligence (AI) applications in protein-drug interaction studies, and describes applications of different computational methodologies for drug discovery and creating efficient docking workflows using Jupyter Notebooks. The chapters in this book cover topics such as AlphaFold; AI models to address protein-ligand interactions; machine-learning models to predict binding affinity based on the atomic coordinates of protein-ligand complexes; AutoDock Vina; Molegro Virtual Docker (MVD); and workflows integrating docking engines and machine-learning techniques to build regression models and apply them to drug discovery. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and thorough, Docking Screens for Drug Discovery, Second Edition is a valuable reference for all researchers interested in learning more about the development of computational tools for drug discovery. |
| 532 8# - ACCESSIBILITY NOTE | |
| Summary of accessibility | Accessibility summary: This PDF has been created in accordance with the PDF/UA-1 standard to enhance accessibility, including screen reader support, described non-text content (images, graphs), bookmarks for easy navigation, keyboard-friendly links and forms and searchable, selectable text. We recognize the importance of accessibility, and we welcome queries about accessibility for any of our products. If you have a question or an access need, please get in touch with us at accessibilitysupport@springernature.com. Please note that a more accessible version of this eBook is available as ePub. |
| 532 8# - ACCESSIBILITY NOTE | |
| Summary of accessibility | No reading system accessibility options actively disabled |
| 532 8# - ACCESSIBILITY NOTE | |
| Summary of accessibility | Publisher contact for further accessibility information: accessibilitysupport@springernature.com |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Pharmacology. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Bioinformatics. |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Pharmacology. |
| 650 24 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Computational and Systems Biology. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | de Azevedo Jr., Walter Filgueira. |
| Relator term | editor. |
| Relationship | edt |
| -- | http://id.loc.gov/vocabulary/relators/edt |
| 710 2# - ADDED ENTRY--CORPORATE NAME | |
| Corporate name or jurisdiction name as entry element | SpringerLink (Online service) |
| 773 0# - HOST ITEM ENTRY | |
| Title | Springer Nature eBook |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Printed edition: |
| International Standard Book Number | 9781071649480 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Printed edition: |
| International Standard Book Number | 9781071649503 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Printed edition: |
| International Standard Book Number | 9781071649510 |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | Methods in Molecular Biology, |
| International Standard Serial Number | 1940-6029 ; |
| Volume/sequential designation | 2984 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://doi.org/10.1007/978-1-0716-4949-7">https://doi.org/10.1007/978-1-0716-4949-7</a> |
| 912 ## - | |
| -- | ZDB-2-PRO |
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