Pharmacoinformatics Research Group

Following a holistic pharmacoinformatic approach we combine multi-dimensional annotation, structural modelling of biomolecular systems, structure-based drug design, chemometric and in silico chemogenomic methods, statistical modelling and machine learning approaches to develop predictive computational systems for off-target pharmacologies. The validation and optimisation of the obtained in silico models by strong links to experimental groups is an integral part of these activities. Research activities are complemented by strong educational activities, especially by coordinating the European PhD Programme in Pharmacoinformatics.

News

Our group got featured in MedChemWatch (the official EFMC newsletter)!
Read all about us online here, or download the pdf.

MedChemWatch

EFMC

Just published

We cordially congratulate Lars to his publication in Nature Chemical Biology!

Official press release University of Vienna

derStandard.at press article

Richter L, de Graaf C, Sieghart W, Varagic Z, Mörzinger M, de Esch I, Ecker GF, Ernst M. Diazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligands.
Nat Chem Biol, published online 25 March 2012
view online

Poongavanam V, Haider N, Ecker GF. Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors.
Bioorganic & Medicinal Chemistry, published online 28 March 2012
view onlinehttp://dx.doi.org/10.1016/j.drudis.2012.03.015

Latest Book Chapter

Weissensteiner R, Steinkellner T, Jurik A, Bulling S, Sandtner W, Kudlacek O, Freissmuth M, Ecker GF, Sitte HH: Towards an understanding of the psychostimulant action of amphetamine and cocaine

In: Barth, Friedrich G; Giampieri-Deutsch, Patrizia; Klein, Hans Dieter (Ed.): Sensory Perception: mind and matter, page 183-203. 2012, Springer-Verlag Wien.

1st Edition., 2012, 400 p. 100 illus. in color.
Hardcover, ISBN 978-3-211-99750-5

Springer-Verlag online

Sensory perception: mind and matter brings together the neurosciences with psychology and philosophy thereby meeting the demand of an interdisciplinary discourse between those fields of interest in order to understand the many facets of sensory perception and their relation to brain functions and cognition. It gives an interdisciplinary insight into the understanding of neurobiology and sensory processing in animals and humans, with leading experts contributing to this discourse.

Current Projects and Activities

See "Projects"-section on the left for detailed information.

	The Open PHACTS consortium, funded by the Innovative Medicines Initiative (IMI), will reduce the barriers to drug discovery by applying semantic technologies to available data resources, creating an Open Pharmacological Space.
	Integrating bioinformatics and chemoinformatics approaches for the development of expert systems allowing the in silico prediction of toxicities.
	Transmembrane Transporters in Health and Disease – Sonderforschungsbereich (research cluster) funded by the Austrian Science Fund.
	Molecular Drug Targets – a PhD/doctoral program in pharmaceutical sciences, funded by the Austrian Science Fund.
	EUROPIN – A European Pharmacoinformatics Initiative: Developing a European PhD curriculum in Pharmacoinformatics: http://www.europin.at

News

We are grateful for support provided by