Ligand discovery and virtual screening using the program LIDAEUS
This paper discusses advances in docking and scoring approaches with examples from the high-throughput virtual screening program LIDAEUS. We describe the discovery of small molecule inhibitors for the immunophilin CypA, the cyclin-dependent kinase CDK2 and the cyclapolin series of potent Polo-like kinase inhibitors. These results are discussed in the context of advances in massively parallel computing and in the development of annotated databases.
| Medienart: |
Artikel |
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| Erscheinungsjahr: |
2008 |
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| Erschienen: |
2008 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:153 Suppl 1 |
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| Enthalten in: |
British journal of pharmacology - 153 Suppl 1(2008) vom: 24. März, Seite S55-67 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Taylor, P [VerfasserIn] |
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| Themen: |
059QF0KO0R |
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| Anmerkungen: |
Date Completed 28.04.2008 Date Revised 20.10.2021 published: Print-Electronic Citation Status MEDLINE |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM175350574 |
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| 100 | 1 | |a Taylor, P |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Ligand discovery and virtual screening using the program LIDAEUS |
| 264 | 1 | |c 2008 | |
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| 500 | |a Date Revised 20.10.2021 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a This paper discusses advances in docking and scoring approaches with examples from the high-throughput virtual screening program LIDAEUS. We describe the discovery of small molecule inhibitors for the immunophilin CypA, the cyclin-dependent kinase CDK2 and the cyclapolin series of potent Polo-like kinase inhibitors. These results are discussed in the context of advances in massively parallel computing and in the development of annotated databases | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Research Support, Non-U.S. Gov't | |
| 650 | 4 | |a Review | |
| 650 | 7 | |a Ligands |2 NLM | |
| 650 | 7 | |a Water |2 NLM | |
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| 700 | 1 | |a Blackburn, E |e verfasserin |4 aut | |
| 700 | 1 | |a Sheng, Y G |e verfasserin |4 aut | |
| 700 | 1 | |a Harding, S |e verfasserin |4 aut | |
| 700 | 1 | |a Hsin, K-Y |e verfasserin |4 aut | |
| 700 | 1 | |a Kan, D |e verfasserin |4 aut | |
| 700 | 1 | |a Shave, S |e verfasserin |4 aut | |
| 700 | 1 | |a Walkinshaw, M D |e verfasserin |4 aut | |
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