Drug design strategies: computational techniques and applications
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Cambridge, U.K.
Royal Society of Chemistry
2012
|
| Schriftenreihe: | RSC drug discovery series
20 |
| Schlagworte: | |
| Online-Zugang: | FAW01 FAW02 Volltext |
| Beschreibung: | Includes bibliographical references and index This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecular systems.The information need for a book in this area is due to the continuing rapid advance of firstly theoretical approaches, secondly software/hardware and lastly the successful application of the technology and this book fills a gap in the literature. The co-editors have extensive experience of teaching and researching in the field and the book includes contributions from cutting-edge academic and industrial researchers in their respective fields. It is essential reading for medicinal chemists, computational chemists and those in the pharmaceutical industry |
| Beschreibung: | 1 Online-Ressource (x, 239 p.) |
| ISBN: | 1621981398 1849733406 9781621981398 9781849733403 |
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| 650 | 4 | |a Quantitative Structure-Activity Relationship | |
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| 650 | 4 | |a Computer Simulation | |
| 650 | 4 | |a Medizin | |
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| 700 | 1 | |a Clark, Tim |e Sonstige |4 oth | |
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| dewey-ones | 615 - Pharmacology and therapeutics |
| dewey-raw | 615.1900113 |
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| dewey-sort | 3615.1900113 |
| dewey-tens | 610 - Medicine and health |
| discipline | Chemie / Pharmazie Medizin |
| format | Electronic eBook |
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| id | DE-604.BV043160337 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T07:19:20Z |
| institution | BVB |
| isbn | 1621981398 1849733406 9781621981398 9781849733403 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-028584528 |
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| physical | 1 Online-Ressource (x, 239 p.) |
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| publishDate | 2012 |
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| publisher | Royal Society of Chemistry |
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| series2 | RSC drug discovery series |
| spelling | Drug design strategies computational techniques and applications editors, Lee Banting and Tim Clark Cambridge, U.K. Royal Society of Chemistry 2012 1 Online-Ressource (x, 239 p.) txt rdacontent c rdamedia cr rdacarrier RSC drug discovery series 20 Includes bibliographical references and index This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecular systems.The information need for a book in this area is due to the continuing rapid advance of firstly theoretical approaches, secondly software/hardware and lastly the successful application of the technology and this book fills a gap in the literature. The co-editors have extensive experience of teaching and researching in the field and the book includes contributions from cutting-edge academic and industrial researchers in their respective fields. It is essential reading for medicinal chemists, computational chemists and those in the pharmaceutical industry Drug Design Models, Chemical Models, Molecular Molecular Dynamics Simulation Physicochemical Phenomena Quantitative Structure-Activity Relationship MEDICAL / Drug Guides bisacsh MEDICAL / Nursing / Pharmacology bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh Drugs / Design / Computer simulation fast Computer Simulation Medizin Drugs Design Computer simulation Banting, Lee Sonstige oth Clark, Tim Sonstige oth Erscheint auch als Druckausgabe 1-84973-167-5 Erscheint auch als Druckausgabe 978-1-84973-167-6 http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=519356 Aggregator Volltext |
| spellingShingle | Drug design strategies computational techniques and applications Drug Design Models, Chemical Models, Molecular Molecular Dynamics Simulation Physicochemical Phenomena Quantitative Structure-Activity Relationship MEDICAL / Drug Guides bisacsh MEDICAL / Nursing / Pharmacology bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh Drugs / Design / Computer simulation fast Computer Simulation Medizin Drugs Design Computer simulation |
| title | Drug design strategies computational techniques and applications |
| title_auth | Drug design strategies computational techniques and applications |
| title_exact_search | Drug design strategies computational techniques and applications |
| title_full | Drug design strategies computational techniques and applications editors, Lee Banting and Tim Clark |
| title_fullStr | Drug design strategies computational techniques and applications editors, Lee Banting and Tim Clark |
| title_full_unstemmed | Drug design strategies computational techniques and applications editors, Lee Banting and Tim Clark |
| title_short | Drug design strategies |
| title_sort | drug design strategies computational techniques and applications |
| title_sub | computational techniques and applications |
| topic | Drug Design Models, Chemical Models, Molecular Molecular Dynamics Simulation Physicochemical Phenomena Quantitative Structure-Activity Relationship MEDICAL / Drug Guides bisacsh MEDICAL / Nursing / Pharmacology bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh Drugs / Design / Computer simulation fast Computer Simulation Medizin Drugs Design Computer simulation |
| topic_facet | Drug Design Models, Chemical Models, Molecular Molecular Dynamics Simulation Physicochemical Phenomena Quantitative Structure-Activity Relationship MEDICAL / Drug Guides MEDICAL / Nursing / Pharmacology MEDICAL / Pharmacology MEDICAL / Pharmacy Drugs / Design / Computer simulation Computer Simulation Medizin Drugs Design Computer simulation |
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| work_keys_str_mv | AT bantinglee drugdesignstrategiescomputationaltechniquesandapplications AT clarktim drugdesignstrategiescomputationaltechniquesandapplications |