Untangling tau hyperphosphorylation in drug design for neurodegenerative diseases MP Mazanetz, PM Fischer Nature reviews Drug discovery 6 (6), 464-479, 2007 | 639 | 2007 |
GAMESS as a free quantum-mechanical platform for drug research Y Alexeev, M P Mazanetz, O Ichihara, D G Fedorov Current topics in medicinal chemistry 12 (18), 2013-2033, 2012 | 143 | 2012 |
Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method MP Mazanetz, O Ichihara, RJ Law, M Whittaker Journal of Cheminformatics 3, 1-15, 2011 | 117 | 2011 |
Drug discovery applications for KNIME: an open source data mining platform M P Mazanetz, R J Marmon, C BT Reisser, I Morao Current topics in medicinal chemistry 12 (18), 1965-1979, 2012 | 105 | 2012 |
Active site pressurization: a new tool for structure-guided drug design and other studies of protein flexibility IM Withers, MP Mazanetz, H Wang, PM Fischer, CA Laughton Journal of chemical information and modeling 48 (7), 1448-1454, 2008 | 30 | 2008 |
Evaluation of water displacement energetics in protein binding sites with grid cell theory G Gerogiokas, MWY Southey, MP Mazanetz, A Hefeitz, M Bodkin, RJ Law, ... Physical Chemistry Chemical Physics 17 (13), 8416-8426, 2015 | 27 | 2015 |
Ligand-and structure-based drug design and optimization using KNIME MP Mazanetz, CHF Goode, EI Chudyk Current medicinal chemistry 27 (38), 6458-6479, 2020 | 24 | 2020 |
Evaluation of host–guest binding thermodynamics of model cavities with grid cell theory J Michel, RH Henchman, G Gerogiokas, MWY Southey, MP Mazanetz, ... Journal of Chemical Theory and Computation 10 (9), 4055-4068, 2014 | 23 | 2014 |
Applications of the fragment molecular orbital method to drug research MP Mazanetz, E Chudyk, DG Fedorov, Y Alexeev Computer-Aided Drug Discovery, 217-255, 2016 | 17 | 2016 |
Investigation of the flexibility of protein kinases implicated in the pathology of Alzheimer’s disease MP Mazanetz, CA Laughton, PM Fischer Molecules 19 (7), 9134-9159, 2014 | 17 | 2014 |
Using Electrophysiology and In Silico Three-Dimensional Modeling to Reduce Human Ether-à-go-go Related Gene K+ Channel Inhibition in a Histamine H3 … AJ Davenport, C Möller, A Heifetz, MP Mazanetz, RJ Law, A Ebneth, ... ASSAY and Drug Development Technologies 8 (6), 781-789, 2010 | 17 | 2010 |
The KNIME cookbook R Silipo, MP Mazanetz KNIME Press, Zürich, Switzerland, 2012 | 16 | 2012 |
Assessment of hydration thermodynamics at protein interfaces with grid cell theory G Gerogiokas, MWY Southey, MP Mazanetz, A Heifetz, M Bodkin, RJ Law, ... The Journal of Physical Chemistry B 120 (40), 10442-10452, 2016 | 15 | 2016 |
6-substituted-2, 3, 4, 5-tetrahydro-1h-benzo [d] azepines as 5-ht2c receptor agonists JG Allen, K Briner, CS Galka, RC Hoying, MA Martinez-Grau, J Miyashiro, ... | 11* | 2007 |
Pharmaceutical compounds J Agejas-Chicharro, ABB Melendo, N Camp, J Gilmore, ... US Patent App. 10/433,912, 2004 | 11 | 2004 |
Substituted naphthyridines and their use as medicaments M Hoffmann, G Dahmann, D Fiegen, S Handschuh, J Klicic, G Linz, ... US Patent 8,969,568, 2015 | 10 | 2015 |
Hit and Lead Identification from fragments M Mazanetz, R Law, M Whittaker De novo molecular design, 143-200, 2013 | 8 | 2013 |
From receptors to ligands: fragment-assisted drug design for GPCRs applied to the discovery of H3 and H4 receptor antagonists A Heifetz, M Mazanetz, T James, S Pal, RJ Law, M Slack, PC Biggin Med chem 4, 313-321, 2013 | 7 | 2013 |
A Study of CDK2 Inhibitors Using a Novel 3D‐QSAR Method Exploiting Receptor Flexibility MP Mazanetz, IM Withers, CA Laughton, PM Fischer QSAR & Combinatorial Science 28 (8), 878-884, 2009 | 7 | 2009 |
Exploiting glycogen synthase kinase 3β flexibility in molecular recognition MP Mazanetz, IM Withers, CA Laughton, PM Fischer Biochemical Society Transactions 36 (1), 55-58, 2008 | 7 | 2008 |