EBI Groups Cheminformatics and Metabolism Team Members

The Cheminformatics and Metabolism Team Alumni

The following people used to work in the Cheminformatics and Metabolism Team:

Nico Adams Visitor	Hong Cao Enzyme Database Software	Mercedes Castillo Trainee	Leonid Chepelev Visitor
Laura Daniels Student	Samy Deghou Trainee	Kirill Degtyarenko ChEBI Curator	Janna Hastings Software Engineer, ChEBI
Andreas Hoelzlwimmer Trainee	Duncan Hull Software Engineer	Kalai Vanii Jayaseelan Visiting Student	Zara Josephs Scientific Database Curator
Akbar Karami Visitor	Stefan Kuhn Software Engineer	Duan Lian Trainee	Mark Rijnbeek Senior Software Engineer
Inma Spiteri Scientific Database Curator	Gilleain Torrance Post Doc	Andreas Truszkowski Trainee

Other former group members (in historical order)

Stefan Krause (computer science graduate student) maintained and extended our JChemPaint editor for drawing 2D chemical structures in our group at the Max-Planck-Institute for Chemical Ecology in Jena (http://www.ice.mpg.de). He then returned for a study thesis on the design and implementation of NMRShiftDB (http://www.nmrshiftdb.org), our open-access, open-submission web database for organic compounds and their NMR chemical shifts.

Matthias Klemm (PhD in physics and music student) worked in our group at the Max-Planck-Institute for Chemical Ecology in Jena (http://www.ice.mpg.de) on very early attempts to establish NMRShiftDB (http://www.nmrshiftdb.org).

Martin Schild (Architectural Informatics) worked in our group at the Max-Planck-Institute for Chemical Ecology in Jena (http://www.ice.mpg.de) on an applet version of JChemPaint (http://jchempaint.sf.net).

Oliver Böhm (Computer Scientist) worked in our group at the Max-Planck-Institute for Chemical Ecology in Jena (http://www.ice.mpg.de) on very early attempts to establish NMRShiftDB (http://www.nmrshiftdb.org).

Yongquan Han did his PhD in in our group at the Max-Planck-Institute for Chemical Ecology in Jena (http://www.ice.mpg.de). He worked on Evolutionary Algorithms for Computer Assisted Structure Elucidation. Having completed his PhD at the end of 2003, he moved to Jonny Gasteiger's lab at the Computer Chemistry Center in Erlangen.

Junfeng Hao did a postdoctorate in our group, where he implemented a deterministic structure generator based on the Chemistry Development Kit (CDK). Junfeng is now back in China, where he became Chief Engineer in the Zhengzhou National High and New Tech Development zone of the Zhengzhou government.

Tobias Helmus was a PhD student at CUBIC and worked about Encoding, Storing and Searching of Analytical Properties and Assigned Metabolite Structures. After his PhD, he moved to industry.

Christian Hoppe worked in our group at CUBIC (http://www.cubic.uni-koeln.de) as a postdoc on the characterization of consensus binding pockets of protein target families. Later, he moved to a company called Euroscreen and is now at AstraZeneca in Mölndal.

Davide Bau worked in our group at CUBIC (http://www.cubic.uni-koeln.de) as a Postdoc on algorithms for the massspec-based sequence determination of oligonucleotides in cooperation with Roche Diagnostics GmbH. After his time at CUBIC, Markus moved to Boehringer Ingelheim.

Markus Kunze worked in our group at CUBIC (http://www.cubic.uni-koeln.de) as a Postdoc on algorithms for the massspec-based sequence determination of oligonucleotides in cooperation with Roche Diagnostics GmbH. After his time at CUBIC, Markus moved to Boehringer Ingelheim.

Egon Willighagen worked at the group at CUBIC as a Postdoc. He started integrating Seneca into Bioclipse. He now works at Uppsala University, Sweden.

Miguel Rojas worked as a PhD student at CUBIC. He now is a Postdoc at Leiden University, Netherlands.

Thomas Kuhn did his PhD as CUBI about Open Source Workflow Engine for Cheminformatics: From Data Curation to Data Analysis. After finishing his PhD, he joined GNWI (http://www.gnwi.de).

Agnes Nyéki worked in our group at CUBIC (http://www.cubic.uni-koeln.de) as a Postdoc on MS-Methods for the sequence determination of oligonucleotides in cooperation with Roche Diagnostics GmbH. After her time at CUBIC, Agnes moved to the European Patent Office.

Georg Hinselmann and Nikolas Fechner have visited our group as part of their course at Tübingen University.

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