Computational Drug Discovery (Record no. 67023)
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| fixed length control field | 04670nam a22003974u 4500 |
| 001 - CONTROL NUMBER | |
| control field | 10.1002/9783527840748 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | Wiley |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20251030120309.0 |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr nn 008mam|a |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 240119t2024||||xxu fs| |0|| 0|eng|| |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9783527840748 |
| Qualifying information | electronic |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.1002/9783527840748 |
| Source of number or code | doi |
| 041 ## - LANGUAGE CODE | |
| Language code of text/sound track or separate title | eng |
| 245 00 - TITLE STATEMENT | |
| Title | Computational Drug Discovery |
| Remainder of title | Methods and Applications |
| Medium | [electronic resource] |
| Statement of responsibility, etc. | Edited by Vasanthanathan Poongavanam, Vijayan Ramaswamy. |
| 250 ## - EDITION STATEMENT | |
| Edition statement | 1 |
| 260 ## - Date publicare | |
| Name of publisher, distributor, etc. | Wiley |
| Date of publication, distribution, etc. | 2024 |
| 264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Name of producer, publisher, distributor, manufacturer | Wiley |
| Date of production, publication, distribution, manufacture, or copyright notice | 2024 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 736pp.; |
| 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 |
| 347 ## - DIGITAL FILE CHARACTERISTICS | |
| File type | text file |
| Source | rdaft |
| 347 ## - DIGITAL FILE CHARACTERISTICS | |
| Encoding format | |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Computational Drug Discovery A comprehensive resource that explains a wide array of computational technologies and methods driving innovation in drug discovery Computational Drug Discovery: Methods and Applications (2 volume set) covers a wide range of cutting-edge computational technologies and computational chemistry methods that are transforming drug discovery. The book delves into recent advances, particularly focusing on artificial intelligence (AI) and its application for protein structure prediction, AI-enabled virtual screening, and generative modeling for compound design. Additionally, it covers key technological advancements in computing such as quantum and cloud computing that are driving innovations in drug discovery. Furthermore, dedicated chapters that addresses the recent trends in the field of computer aided drug design, including ultra-large-scale virtual screening for hit identification, computational strategies for designing new therapeutic modalities like PROTACs and covalent inhibitors that target residues beyond cysteine are also presented. To offer the most up-to-date information on computational methods utilized in Computational Drug Discovery, it covers chapters highlighting the use of molecular dynamics and other related methods, application of QM and QM/MM methods in computational drug design, and techniques for navigating and visualizing the chemical space, as well as leveraging big data to drive drug discovery efforts. The book is thoughtfully organized into eight thematic sections, each focusing on a specific computational method or technology applied to drug discovery. Authored by renowned experts from academia, pharmaceutical industry, and major drug discovery software providers, it offers an overview of the latest advances in computational drug discovery. Key topics covered in the book include: Application of molecular dynamics simulations and related approaches in drug discovery The application of QM, hybrid approaches such as QM/MM, and fragment molecular orbital framework for understanding protein-ligand interactions Adoption of artificial intelligence in pre-clinical drug discovery, encompassing protein structure prediction, generative modeling for de novo design, and virtual screening. Techniques for navigating and visualizing the chemical space, along with harnessing big data to drive drug discovery efforts. Methods for performing ultra-large-scale virtual screening for hit identification. Computational strategies for designing new therapeutic models, including PROTACs and molecular glues. In silico ADMET approaches for predicting a variety of pharmacokinetic and physicochemical endpoints. The role of computing technologies like quantum computing and cloud computing in accelerating drug discovery This book will provide readers an overview of the latest advancements in Computational Drug Discovery and serve as a valuable resource for professionals engaged in drug discovery. |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| 9 (RLIN) | 91083 |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| 9 (RLIN) | 91639 |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| 9 (RLIN) | 58441 |
| 653 00 - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Protein structure prediction: ligand based virtual screening; structure based virtual screening; multi-parameter optimization; generative chemistry; computer-aided synthesis planning; Quantum computing; ADMET |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Poongavanam, Vasanthanathan |
| Relator code | edt |
| 9 (RLIN) | 91640 |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Ramaswamy, Vijayan |
| Relator code | edt |
| 9 (RLIN) | 91641 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Printed edition: |
| International Standard Book Number | 9783527351664 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://doi.org/10.1002/9783527840748">https://doi.org/10.1002/9783527840748</a> |
| Host name | Wiley Online Library |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://onlinelibrary.wiley.com/action/showBook?doi=10.1002%2F9783527840748">https://onlinelibrary.wiley.com/action/showBook?doi=10.1002%2F9783527840748</a> |
| Host name | Wiley Online Library |
| 856 42 - ELECTRONIC LOCATION AND ACCESS | |
| Materials specified | Cover Image |
| Uniform Resource Identifier | <a href="https://onlinelibrary.wiley.com/cms/asset/00bad48e-765f-4173-8d2d-4219cc3910a9/9783527840748.cover.gif">https://onlinelibrary.wiley.com/cms/asset/00bad48e-765f-4173-8d2d-4219cc3910a9/9783527840748.cover.gif</a> |
| Host name | Wiley Online Library |
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