1.
Br J Pharmacol
; 153 Suppl 1: S55-67, 2008 Mar.
Article
in English
| MEDLINE
| ID: mdl-18037921
ABSTRACT
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.