User:Joerg Kurt Wegner
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A molecule is not a vector, and ... never will be! JKW 15:03, 23 April 2006 (UTC)
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| de | Dieser Benutzer spricht Deutsch als Muttersprache. |
| en-2 | This user is able to contribute with an intermediate level of English. |
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This user can solve problems with several languages. |
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My work
I studied chemistry followed by my Ph.D. thesis in computer science. In other words I am a Cheminformatician by education, because in 2001 there were not many universities offering this subject as a major.
Fields that spark my interests are cheminformatics, chemogenomics, molecular modelling, QSAR (especially ADME and molecule mining), coding of molecules, information theory and optimization algorithms. Besides, I am the administrator of the JOELib-Cheminformatics-library.
The official open source community for cheminformatics has been founded 2005 at the ACS meeting in San Diego. It is called the 'blue obelisk' movement, because some of the administrators/developers met at the blue obelisk.
Since October 2005 I am working as post-doc at Tibotec in Mechelen. My work is now focused on molecular modelling, but also still Cheminformatics.
My actual drug target working on is one of the HIV targets.
More information
- TODOs
- Programs
- CHARMM
- Modeller8 (Python binding)
- Internal Coordinate Mechanics (ICM)
- Insight, DS Modeling (Accelrys)
- Maestro (Schrodinger)
- Pipeline pilot
- Languages
- Projects
- Research: Antiviral drug, HIV, Data Mining, Machine Learning
- Software: JOELib, Jabref (BibTeX), OpenBabel, Chemistry Development Kit, Chemical Markup Language
- Decision theory
- Links
- Acknowledgements
- User:Ian13 for this fantastic Wikipedia layout
