György M. Keserű
György M. Keserű
Verified email at ttk.mta.hu - Homepage
TitleCited byYear
The role of ligand efficiency metrics in drug discovery
AL Hopkins, GM Keserü, PD Leeson, DC Rees, CH Reynolds
Nature reviews Drug discovery 13 (2), 105-121, 2014
5402014
The influence of lead discovery strategies on the properties of drug candidates
GM Keserü, GM Makara
nature reviews Drug Discovery 8 (3), 203-212, 2009
4872009
Finding the sweet spot: the role of nature and nurture in medicinal chemistry
MM Hann, GM Keserü
Nature reviews Drug discovery 11 (5), 355-365, 2012
2932012
Hit discovery and hit-to-lead approaches
GM Keserű, GM Makara
Drug discovery today 11 (15-16), 741-748, 2006
2682006
Impact of lipophilic efficiency on compound quality
A Tarcsay, K Nyíri, GM Keserű
Journal of medicinal chemistry 55 (3), 1252-1260, 2012
1322012
Thermodynamics guided lead discovery and optimization
GG Ferenczy, GM Keserű
Drug discovery today 15 (21-22), 919-932, 2010
1192010
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods
GM Keserü
Bioorganic & medicinal chemistry letters 13 (16), 2773-2775, 2003
1112003
A high throughput luminescent assay for glycogen synthase kinase-3 β inhibitors
A Baki, A Bielik, L Molnár, G Szendrei, GM Keserü
Assay and drug development technologies 5 (1), 75-84, 2007
1072007
Fully flexible low-mode docking: application to induced fit in HIV integrase
GM Keserû, I Kolossváry
Journal of the American Chemical Society 123 (50), 12708-12709, 2001
1062001
Recent advances in the prediction of blood–brain partitioning from molecular structure
M Lobell, L Molnár, GM Keserü
Journal of pharmaceutical sciences 92 (2), 360-370, 2003
1052003
Virtual screening for β-secretase (BACE1) inhibitors reveals the importance of protonation states at Asp32 and Asp228
T Polgár, GM Keserü
Journal of medicinal chemistry 48 (11), 3749-3755, 2005
1002005
1-(2,4,6-Tri-tert-butylphenyl)-3-methylphosphole:  A Phosphole with a Significantly Flattened Phosphorus Pyramid Having Pronounced Characteristics of Aromaticity
G Keglevich, Z Böcskei, GM Keserü, K Újszászy, LD Quin
Journal of the American Chemical Society 119 (22), 5095-5099, 1997
941997
Contributions of Molecular Properties to Drug Promiscuity: Miniperspective
A Tarcsay, GM Keserű
Journal of medicinal chemistry 56 (5), 1789-1795, 2013
932013
Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening
R Kiss, B Kiss, Á Könczöl, F Szalai, I Jelinek, V László, B Noszál, A Falus, ...
Journal of medicinal chemistry 51 (11), 3145-3153, 2008
932008
A neural network based virtual screening of cytochrome P450 3A4 inhibitors
L Molnár, GM Keserű
Bioorganic & medicinal chemistry letters 12 (3), 419-421, 2002
862002
Design principles for fragment libraries: maximizing the value of learnings from pharma fragment-based drug discovery (FBDD) programs for use in academia
GM Keserű, DA Erlanson, GG Ferenczy, MM Hann, CW Murray, ...
Journal of medicinal chemistry 59 (18), 8189-8206, 2016
842016
High-throughput prediction of blood− brain partitioning: a thermodynamic approach
GM Keserü, L Molnár
Journal of chemical information and computer sciences 41 (1), 120-128, 2001
802001
Hessian‐free low‐mode conformational search for large‐scale protein loop optimization: application to c‐jun N‐terminal kinase JNK3
I Kolossváry, GM Keserü
Journal of Computational Chemistry 22 (1), 21-30, 2001
802001
Expanding the medicinal chemistry synthetic toolbox
J Boström, DG Brown, RJ Young, GM Keserü
Nature Reviews Drug Discovery 17 (10), 709-727, 2018
732018
Validity of ligand efficiency metrics
CW Murray, DA Erlanson, AL Hopkins, GM Keserü, PD Leeson, ...
ACS medicinal chemistry letters 5 (6), 616-618, 2014
722014
The system can't perform the operation now. Try again later.
Articles 1–20