Molecular Docking and Molecular Dynamics
This book clearly explains the principles of in silico tools of molecular docking and molecular dynamics. It provides examples of algorithms and procedures proposed by different software programs for visualizing and identifying potential interactions in complexes of biochemical interest. The book is...
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| Формат: | Online |
|---|---|
| Язык: | английский |
| Опубликовано: |
IntechOpen
2021
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| Предметы: | |
| Online-ссылка: | ONIX_20210420_9781789840926_2540 |
| Метки: |
Нет меток, Требуется 1-ая метка записи!
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| _version_ | 1869520028445966336 |
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| collection | Directory of Open Access Books |
| description | This book clearly explains the principles of in silico tools of molecular docking and molecular dynamics. It provides examples of algorithms and procedures proposed by different software programs for visualizing and identifying potential interactions in complexes of biochemical interest. The book is structured in six chapters, each of which discusses different molecular simulation methodologies and provides concrete examples of complexes interactions. In each chapter authors give an overview of the treated subject, a description of the methodologies used, and a discussion of the results. The authors describe computational ways to achieve a rational design of bioactive compounds with various therapeutic applications, including antitumoral agents, antitubercular drugs, nonsteroidal anti-inflammatory drugs, and radiopharmaceuticals. |
| format | Online |
| id | doab-20.500.12854ir-67181 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2021 |
| publishDateRange | 2021 |
| publishDateSort | 2021 |
| publisher | IntechOpen |
| publisherStr | IntechOpen |
| record_format | ojs |
| spelling | doab-20.500.12854ir-671812024-04-01T14:14:54Z Molecular Docking and Molecular Dynamics Stefaniu, Amalia Pharmacology thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology This book clearly explains the principles of in silico tools of molecular docking and molecular dynamics. It provides examples of algorithms and procedures proposed by different software programs for visualizing and identifying potential interactions in complexes of biochemical interest. The book is structured in six chapters, each of which discusses different molecular simulation methodologies and provides concrete examples of complexes interactions. In each chapter authors give an overview of the treated subject, a description of the methodologies used, and a discussion of the results. The authors describe computational ways to achieve a rational design of bioactive compounds with various therapeutic applications, including antitumoral agents, antitubercular drugs, nonsteroidal anti-inflammatory drugs, and radiopharmaceuticals. 2021-04-20T16:05:36Z 2021-04-20T16:05:36Z 2019 book ONIX_20210420_9781789840926_2540 9781789840926 9781789840919 9781789852622 https://directory.doabooks.org/handle/20.500.12854/67181 eng image/jpeg n/a https://www.intechopen.com/books https://mts.intechopen.com/storage/books/8067/authors_book/authors_book.pdf IntechOpen IntechOpen 10.5772/intechopen.77898 10.5772/intechopen.77898 78a36484-2c0c-47cb-ad67-2b9f5cd4a8f6 9781789840926 9781789840919 9781789852622 IntechOpen 100 open access |
| spellingShingle | Pharmacology thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology Molecular Docking and Molecular Dynamics |
| title | Molecular Docking and Molecular Dynamics |
| title_full | Molecular Docking and Molecular Dynamics |
| title_fullStr | Molecular Docking and Molecular Dynamics |
| title_full_unstemmed | Molecular Docking and Molecular Dynamics |
| title_short | Molecular Docking and Molecular Dynamics |
| title_sort | molecular docking and molecular dynamics |
| topic | Pharmacology thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology |
| topic_facet | Pharmacology thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology |
| url | ONIX_20210420_9781789840926_2540 |