Gary Tresadern
Gary Tresadern
Computational chemistry, Janssen R&D, Pharmaceutical companies of Johnson and Johnson
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Recognizing pitfalls in virtual screening: a critical review
T Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, ...
Journal of chemical information and modeling 52 (4), 867-881, 2012
Virtual screening: principles, challenges, and practical guidelines
R Mannhold, H Kubinyi, G Folkers
John Wiley & Sons, 2011
Discovery of 3-Cyclopropylmethyl-7-(4-phenylpiperidin-1-yl)-8-trifluoromethyl[1,2,4]triazolo[4,3-a]pyridine (JNJ-42153605): A Positive Allosteric Modulator of the …
JM Cid, G Tresadern, JA Vega, AI de Lucas, E Matesanz, L Iturrino, ...
Journal of medicinal chemistry 55 (20), 8770-8789, 2012
Scaffold hopping from pyridones to imidazo [1, 2-a] pyridines. New positive allosteric modulators of metabotropic glutamate 2 receptor
G Tresadern, JM Cid, GJ Macdonald, JA Vega, AI de Lucas, A García, ...
Bioorganic & medicinal chemistry letters 20 (1), 175-179, 2010
Molecular blueprint of allosteric binding sites in a homologue of the agonist-binding domain of the α7 nicotinic acetylcholine receptor
R Spurny, S Debaveye, A Farinha, K Veys, AM Vos, T Gossas, J Atack, ...
Proceedings of the National Academy of Sciences 112 (19), E2543-E2552, 2015
A comparison of ligand based virtual screening methods and application to corticotropin releasing factor 1 receptor
G Tresadern, D Bemporad, T Howe
Journal of Molecular Graphics and Modelling 27 (8), 860-870, 2009
Application of free energy perturbation for the design of BACE1 inhibitors
M Ciordia, L Pérez-Benito, F Delgado, AA Trabanco, G Tresadern
Journal of Chemical information and modeling 56 (9), 1856-1871, 2016
QM/MM studies show substantial tunneling for the hydrogen-transfer reaction in methylamine dehydrogenase
PF Faulder, G Tresadern, KK Chohan, NS Scrutton, MJ Sutcliffe, IH Hillier, ...
Journal of the American Chemical Society 123 (35), 8604-8605, 2001
Product ion mobility as a promising tool for assignment of positional isomers of drug metabolites
F Cuyckens, C Wassvik, RJ Mortishire‐Smith, G Tresadern, I Campuzano, ...
Rapid Communications in Mass Spectrometry 25 (23), 3497-3503, 2011
Calculations of hydrogen tunnelling and enzyme catalysis: a comparison of liver alcohol dehydrogenase, methylamine dehydrogenase and soybean lipoxygenase
G Tresadern, JP McNamara, M Mohr, H Wang, NA Burton, IH Hillier
Chemical physics letters 358 (5-6), 489-494, 2002
Using transcriptomics to guide lead optimization in drug discovery projects: Lessons learned from the QSTAR project
B Verbist, G Klambauer, L Vervoort, W Talloen, TQ Consortium, Z Shkedy, ...
Drug discovery today 20 (5), 505-513, 2015
Imidazo[1,2-a]pyridines: Orally Active Positive Allosteric Modulators of the Metabotropic Glutamate 2 Receptor
AA Trabanco, G Tresadern, GJ Macdonald, JA Vega, AI de Lucas, ...
Journal of medicinal chemistry 55 (6), 2688-2701, 2012
1, 4-Oxazine β-secretase 1 (BACE1) inhibitors: from hit generation to orally bioavailable brain penetrant leads
FJR Rombouts, G Tresadern, O Delgado, C Martínez-Lamenca, ...
Journal of medicinal chemistry 58 (20), 8216-8235, 2015
Design and synthesis of a novel series of bicyclic heterocycles as potent γ-secretase modulators
F Bischoff, D Berthelot, M De Cleyn, G Macdonald, G Minne, D Oehlrich, ...
Journal of medicinal chemistry 55 (21), 9089-9106, 2012
Molecular properties affecting fast dissociation from the D2 receptor
G Tresadern, JM Bartolome, GJ Macdonald, X Langlois
Bioorganic & medicinal chemistry 19 (7), 2231-2241, 2011
1, 2, 4-Triazolo [4, 3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders
JM Cid-nunez, D Oehlrich, AA Trabanco-suarez, GJ Tresadern, V Ramiro, ...
US Patent App. 15/673,589, 2017
Rational design and synthesis of aminopiperazinones as β-secretase (BACE) inhibitors
G Tresadern, F Delgado, O Delgado, H Gijsen, GJ Macdonald, ...
Bioorganic & medicinal chemistry letters 21 (24), 7255-7260, 2011
Progress in the developement of positive allosteric modulators of the metabotropic glutamate receptor 2
A A Trabanco, J M Cid, H Lavreysen, G J Macdonald, G Tresadern
Current medicinal chemistry 18 (1), 47-68, 2011
Discovery of 1, 5-disubstituted pyridones: a new class of positive allosteric modulators of the metabotropic glutamate 2 receptor
JM Cid, G Duvey, P Cluzeau, V Nhem, K Macary, A Raux, N Poirier, ...
ACS chemical neuroscience 1 (12), 788-795, 2010
Acylguanidine beta secretase 1 inhibitors: A combined experimental and free energy perturbation study
H Keränen, L Pérez-Benito, M Ciordia, F Delgado, TB Steinbrecher, ...
Journal of chemical theory and computation 13 (3), 1439-1453, 2017
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