Computer-Aided Drug Discovery:
This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of dr...
Gespeichert in:
| Weitere Verfasser: | |
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| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
New York, NY
Springer New York
2016
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| Schriftenreihe: | Methods in Pharmacology and Toxicology
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| Schlagworte: | |
| Online-Zugang: | UBR01 TUM01 Volltext |
| Zusammenfassung: | This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab’s goals with this exciting and versatile technology |
| Beschreibung: | 1 Online-Ressource (XI, 305 p. 59 illus., 47 illus. in color) |
| ISBN: | 9781493935215 |
| DOI: | 10.1007/978-1-4939-3521-5 |
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| 520 | |a This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab’s goals with this exciting and versatile technology | ||
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| dewey-ones | 615 - Pharmacology and therapeutics |
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| discipline | Chemie / Pharmazie Medizin |
| doi_str_mv | 10.1007/978-1-4939-3521-5 |
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| isbn | 9781493935215 |
| language | English |
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| spelling | Computer-Aided Drug Discovery edited by Wei Zhang New York, NY Springer New York 2016 1 Online-Ressource (XI, 305 p. 59 illus., 47 illus. in color) txt rdacontent c rdamedia cr rdacarrier Methods in Pharmacology and Toxicology This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab’s goals with this exciting and versatile technology Biomedicine Pharmacology/Toxicology Medicine Pharmacology Pharmakologie (DE-588)4045687-0 gnd rswk-swf Toxikologie (DE-588)4060538-3 gnd rswk-swf Computerunterstütztes Verfahren (DE-588)4139030-1 gnd rswk-swf Pharmakologie (DE-588)4045687-0 s Toxikologie (DE-588)4060538-3 s Computerunterstütztes Verfahren (DE-588)4139030-1 s 1\p DE-604 Zhang, Wei edt Erscheint auch als Druck-Ausgabe 9781493935192 https://doi.org/10.1007/978-1-4939-3521-5 Verlag URL des Erstveröffentlichers Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Computer-Aided Drug Discovery Biomedicine Pharmacology/Toxicology Medicine Pharmacology Pharmakologie (DE-588)4045687-0 gnd Toxikologie (DE-588)4060538-3 gnd Computerunterstütztes Verfahren (DE-588)4139030-1 gnd |
| subject_GND | (DE-588)4045687-0 (DE-588)4060538-3 (DE-588)4139030-1 |
| title | Computer-Aided Drug Discovery |
| title_auth | Computer-Aided Drug Discovery |
| title_exact_search | Computer-Aided Drug Discovery |
| title_full | Computer-Aided Drug Discovery edited by Wei Zhang |
| title_fullStr | Computer-Aided Drug Discovery edited by Wei Zhang |
| title_full_unstemmed | Computer-Aided Drug Discovery edited by Wei Zhang |
| title_short | Computer-Aided Drug Discovery |
| title_sort | computer aided drug discovery |
| topic | Biomedicine Pharmacology/Toxicology Medicine Pharmacology Pharmakologie (DE-588)4045687-0 gnd Toxikologie (DE-588)4060538-3 gnd Computerunterstütztes Verfahren (DE-588)4139030-1 gnd |
| topic_facet | Biomedicine Pharmacology/Toxicology Medicine Pharmacology Pharmakologie Toxikologie Computerunterstütztes Verfahren |
| url | https://doi.org/10.1007/978-1-4939-3521-5 |
| work_keys_str_mv | AT zhangwei computeraideddrugdiscovery |