Projects per year
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.
Original language | English |
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Pages (from-to) | S55-S67 |
Number of pages | 13 |
Journal | British Journal of Pharmacology |
Volume | 153 |
Issue number | S1 |
DOIs | |
Publication status | Published - Mar 2008 |
Keywords / Materials (for Non-textual outputs)
- Computer Simulation
- Databases, Protein
- Drug Design
- Drug Evaluation, Preclinical
- Humans
- Ligands
- Software
- Water
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Dive into the research topics of 'Ligand discovery and virtual screening using the program LIDAEUS'. Together they form a unique fingerprint.Projects
- 1 Finished
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DISCOVERY OF LEAD COMPOUNDS AGAINST TRYPANOSOMIASIS THROUGH INDENTIFICATION OF SELECTIVE INHIBITORS OF PYRUVATE KINASE
Walkinshaw, M. (Principal Investigator)
26/02/09 → 31/01/10
Project: Research