Research Areas - Structural Bioinformatics of Protein Interactions

The change of free binding energy of ligands upon point matations in the virus protein (Mazen Ahmad): Ahmad et al., JCTC, 2015a, Ahmad et al., JCTC, 2015b, Ahmad et al., J Phys Chem B, 2016
Evolution of binding interfaces in interactions between viral-viral and viral-host proteins (Olga Voitenko)
The emergence of resistance in HIV-1 protease (Tomas Bastys)
Detection of recurring structural patterns in isofunctional viral proteins (Sebastian Keller, in collaboration with Pauli Miettinen, Databases and Information Systems, MPII)
Detection of distant homologies among viral proteins and between viral and host proteins using structural comparison: Caprari et al., Viruses, 2015
Detection of horizontal gene transfer events in viral families: Metzler and Kalinina, BMC Genomics, 2014
Structural determinants of HIV-1 tropism Kalinina et al., Retrovirology, 2013

Structural characterization of drug-resistance associated mutations (Alexander Gress, in collaboration with The Chair for Clinical Bioinformatics, Center for Bioinformatics, Saarland University)
Structural analysis and prediction of mechanism of action of novel anti-microbial compounds (in collaboration with The Microbial Natural Products group, Helmholtz Institute for Pharmaceutical Research Saarland (HIPS))

Specificity within MAP kinase signalling cascades (Tomas Bastys, in collaboration with Attila Reményi, Eötvös Loránd University, Budapest, Hungary): Zeke et al., Mol Syst Biol, 2015
Mapping and annotation of non-synonymous SNPs in protein three-dimensional structures (in collaboration with The Chair for Clinical Bioinformatics, Center for Bioinformatics, Saarland University): Mueller et al., Bioinformatics, 2016, Mueller et al., Genome Medicine, 2015
Structural characterization of disease-associated mutations in protein complexes (Alexander Gress)
Reconstruction of large oligomeric complexes (in collaboration with Andreas Hildebrandt, University of Mainz): Dietzen et al., Proteins, 2015