Virtual Screening for Chemists /
Virtual Screening for Chemists focuses the discussion on principles underlying the most widely used methods for virtual screening today. References for more technical details have been provided where relevant. The authors have paid special attention to highlighting resources that are readily accessi...
| Principais autores: | , , |
|---|---|
| Formato: | |
| Idioma: | eng |
| Publicado em: |
Washington, DC : American Chemical Society,
2021
|
| Assuntos: | |
| Acesso em linha: | https://pubs-acs-org.ezproxy.utm.my/doi/book/10.1021/acsinfocus.7e5001 |
| _version_ | 1826473207964631040 |
|---|---|
| author | Saha, Ishika, author 652632 Harran, Patrick G., author 652633 ACS Publications (Online service) 645714 |
| author_facet | Saha, Ishika, author 652632 Harran, Patrick G., author 652633 ACS Publications (Online service) 645714 |
| author_sort | Saha, Ishika, author 652632 |
| collection | OCEAN |
| description | Virtual Screening for Chemists focuses the discussion on principles underlying the most widely used methods for virtual screening today. References for more technical details have been provided where relevant. The authors have paid special attention to highlighting resources that are readily accessible to the academic community and hope these will facilitate your research aims. Demonstrative workflows have been included at the end of the e-book to allow you to familiarize yourself with the general steps involved in a virtual library screening pipeline. Familiarity with basic python and command line interface may be helpful in these examples, but scripts and execution instructions have been provided to guide you through the entire workflow. The input datasets used in the demonstrative examples are derived from the authors’ in-house virtual library, but the exercises may be adapted to other datasets of the reader’s choice. |
| first_indexed | 2024-03-05T17:29:48Z |
| format | |
| id | KOHA-OAI-TEST:609763 |
| institution | Universiti Teknologi Malaysia - OCEAN |
| language | eng |
| last_indexed | 2024-12-08T04:39:21Z |
| publishDate | 2021 |
| publisher | Washington, DC : American Chemical Society, |
| record_format | dspace |
| spelling | KOHA-OAI-TEST:6097632024-10-05T03:03:27ZVirtual Screening for Chemists / Saha, Ishika, author 652632 Harran, Patrick G., author 652633 ACS Publications (Online service) 645714 Electronic books 631902 Washington, DC : American Chemical Society,2021©2021engVirtual Screening for Chemists focuses the discussion on principles underlying the most widely used methods for virtual screening today. References for more technical details have been provided where relevant. The authors have paid special attention to highlighting resources that are readily accessible to the academic community and hope these will facilitate your research aims. Demonstrative workflows have been included at the end of the e-book to allow you to familiarize yourself with the general steps involved in a virtual library screening pipeline. Familiarity with basic python and command line interface may be helpful in these examples, but scripts and execution instructions have been provided to guide you through the entire workflow. The input datasets used in the demonstrative examples are derived from the authors’ in-house virtual library, but the exercises may be adapted to other datasets of the reader’s choice.Includes index.Why Bother with Virtual Screening? -- Molecular Docking-Theoretical Underpinnings -- Virtual Screening -- Extending the Docking Paradigm to Virtual Screening: A WorkflowVirtual Screening for Chemists focuses the discussion on principles underlying the most widely used methods for virtual screening today. References for more technical details have been provided where relevant. The authors have paid special attention to highlighting resources that are readily accessible to the academic community and hope these will facilitate your research aims. Demonstrative workflows have been included at the end of the e-book to allow you to familiarize yourself with the general steps involved in a virtual library screening pipeline. Familiarity with basic python and command line interface may be helpful in these examples, but scripts and execution instructions have been provided to guide you through the entire workflow. The input datasets used in the demonstrative examples are derived from the authors’ in-house virtual library, but the exercises may be adapted to other datasets of the reader’s choice.CheminformaticsChemistryhttps://pubs-acs-org.ezproxy.utm.my/doi/book/10.1021/acsinfocus.7e5001URN:ISBN:9780841299139 |
| spellingShingle | Cheminformatics Chemistry Saha, Ishika, author 652632 Harran, Patrick G., author 652633 ACS Publications (Online service) 645714 Virtual Screening for Chemists / |
| title | Virtual Screening for Chemists / |
| title_full | Virtual Screening for Chemists / |
| title_fullStr | Virtual Screening for Chemists / |
| title_full_unstemmed | Virtual Screening for Chemists / |
| title_short | Virtual Screening for Chemists / |
| title_sort | virtual screening for chemists |
| topic | Cheminformatics Chemistry |
| url | https://pubs-acs-org.ezproxy.utm.my/doi/book/10.1021/acsinfocus.7e5001 |
| work_keys_str_mv | AT sahaishikaauthor652632 virtualscreeningforchemists AT harranpatrickgauthor652633 virtualscreeningforchemists AT acspublicationsonlineservice645714 virtualscreeningforchemists |