Research never stops

Publications 2016

Title Source
Predictions_of_ligand_selectivity_from_absolute_binding_free_energy_calculations_Seite_01

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_Huntingtons_Disease_Models_Seite_02

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_Huntingtons_disease_Seite_01

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_Seite_01

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
Knimeadvanced_cover

The KNIME Cookbook

Matzanetz, M.P., Silipo, R.

KNIME Press, 2016, published online

Applications_of_the_Fragment_Molecular_Orbital_Method_to_Drug_Research

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_Seite_01

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_Seite_1

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_Seite_01

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_Seite_01

Quantitative Phosphoproteomics Analysis of ERBB3/ERBB4 Signaling

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

PLoS ONE, 2016, 11(1)