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Untangling tau hyperphosphorylation in drug design for neurodegenerative diseases
MP Mazanetz, PM Fischer
Nature reviews Drug discovery 6 (6), 464-479, 2007
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), 1-15, 2011
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
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
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
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
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
Applications of the fragment molecular orbital method to drug research
MP Mazanetz, E Chudyk, DG Fedorov, Y Alexeev
Computer-Aided Drug Discovery, 217-255, 2015
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
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
Pharmaceutical compounds
J Agejas-Chicharro, ABB Melendo, N Camp, J Gilmore, ...
US Patent App. 10/433,912, 2004
The KNIME cookbook
R Silipo, MP Mazanetz
KNIME Press, Zürich, Switzerland, 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
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
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
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
Hit and Lead Identification from fragments
M Mazanetz, R Law, M Whittaker
Scaffold Hopping in Medicinal Chemistry, 2014
Ligand-and structure-based drug design and optimization using KNIME
MP Mazanetz, CHF Goode, EI Chudyk
Current medicinal chemistry 27 (38), 6458-6479, 2020
6 substituted 2, 3, 4, 5 tetrahydro-1H-benzo [d] azepines as 5-HT2C receptor agonist
JG Allen, K Briner, CS Galka, MA Martinez-Grau, MR Reinhard, ...
US Patent 8,580,780, 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
Med chem 4, 313-321, 2013
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