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Ligand discovery and virtual screening using the program LIDAEUS
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DOI：10.1038/sj.bjp.0707532.png)
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摘要
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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.
Keyword:
virtual screening
LIDAEUS
EDULISS
cyclophilin
cyclin-dependent kinase
Polo-like kinase
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期刊
IF:
7.7
论文数:
1.5W
被引数:
3.7W
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