Research never stops

Publications 2016

Title Source

Predictions of ligand selectivity from absolute binding free energy calculations

Bodkin, M.J., Heifetz, A., et al. 
ACS Publications, 2016, published online

Phosphodiesterase 10A Inhibition Improves Cortico-Basal Ganglia Function in Huntington’s Disease Models

Beaumont, V., Elschenbroich, S., Schaab, C. et al.

Cell Press, 2016, published online

The novel KMO inhibitor CHDI-340246 leads to a restoration of electrophysiological alterations in mouse models of Huntington's disease

Neagoe, I., Deisemann, H., Winkler, D. et al.

Experimental Neurology 282 (2016) 99–118


Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors

Heifetz, A., Trani, G., MacKinnon, C. H. et al.

J. Med. Chem., 2016, 59 (9), 4352-4363

The KNIME Cookbook

Matzanetz, M.P., Silipo, R.

KNIME Press, 2016, published online


Applications of the Fragment Molecular Orbital Method to Drug Research

Matzanetz, M.P., Chudyk, E., Fedorov et al.

Springer Science 2016, published online

Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design

Dietz, M., Dirksen, A., Volgraf, M. et al.

ACS Publications, 2016, published online

Thermodynamic profiling of inhibitors of Nrf2:Keap1 interactions

Nasiri, H., Linge, S., Ullmann, D.

Science Direct, 2016, published online

Integrated genomics and proteomics define huntingtin CAG length–dependent networks in mice

Schaab, C., Langfelder, P., Cantle, J.P. et al.

Nature neuroscience, 2016, published online

Quantitative Phosphoproteomics Analysis of ERBB3/ERBB4 Signaling

Wandinger, S. K., Lahortiga, I., Jacobs, K. et al.

PLoS ONE, 2016, 11(1)