HOME- Bryn Mawr Conference
- Workshops & Training
- 2010 Oxford (Discovery)
- 2010 Oxford (ADMET)
- 2009 Oxford (Discovery)
- Blanchard, H
- Bryant, S
- Coveney, P
- Hardy, B
- Hawkins, P
- Klamt, A
- Knapp, S
- Kranz, M
- Liebeshuetz, J
- Oledzki, P
- Pirok, G
- Wolber, G
- Zamora, I
- Bursary Award
- 2009 Oxford (ADMET)
- 2008 Oxford
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Peter Oledzki comes from a biological background having completed a Biochemistry degree, he transitioned into the area of drug design by completing a MRes in Bioinformatics and then obtained his PhD in 2006 from the University of Leeds. He worked in the Structural Bioinformatics group of Dr. Richard Jackson on developing a protein-ligand docking algorithm. During this time he also collaborated with Prof. Adam Nelson and worked on a specific inhibitor design project on the comparison of ATP binding sites of protein kinases using conformationally diverse bisindolylmaleimides.
After his PhD he joined BioSolveIT GmbH and has been working there for 3 years as an application scientist. He has been involved with the development of most BioSolveIT tools especially, FlexX 3.1 and ReCore. In addition, he has performed various different application studies with BioSolveIT tools and provides scientific support for BioSolveIT customers. He has performed many hands on tutorial workshops through the years and is a former winner of the business planning competition Bioscience YES (Young Entrepreneurs Scheme).
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Fragment-based Drug Design
Peter Oledzki (BioSolveIT)
Fragment based drug design (FBDD) has gained a lot of momentum in the last few years in its practical application to drug discovery problems in industry. Previously, designing molecules ‘de novo’ had often failed due to the design procedure not taking into account the synthesizability of prospective molecules. Virtual molecules were often proposed to medicinal chemists that were ‘too’ difficult to make.
In this workshop FBDD methods and tools will be used to show how very large numbers of compounds (0.5-3 x 109) can be screened whilst incorporating synthesizability for discovering sensible molecules which won’t give medicinal chemists the synthetic blues. The algorithms used in each particular method will be described and discussed by the group. Theory will be put into practice during the workshop at every stage of each particular method and tool description whilst finally ending with looking at specific case studies that have been particularly relevant to the drug design community.
References
1) Pfizer, in: Boehm et al., J Med Chem 51 (8), 2468–2480, (2008)
2) Boehringer Ingelheim, in: Lessel et al J. Chem Inf Model [Epub ahead of print] (2009)
3) Hoffmann LaRoche in: Maass et al. J Chem Inf Model 47 (2), 390-9, (2007)
4) More details on the specific tools and additional information for preparation for the workshop can be found at www.biosolveit.de/software/libraries.html
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