György M. Keserű
György M. Keserű
E-mail megerősítve itt: - Kezdőlap
Encyclopedia of pharmaceutical technology
J Swarbrick
CRC Press, 2013
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, 2014
The influence of lead discovery strategies on the properties of drug candidates
GM Keserü, GM Makara
nature reviews Drug Discovery 8 (3), 203, 2009
Finding the sweet spot: the role of nature and nurture in medicinal chemistry
MM Hann, GM Keserü
Nature reviews Drug discovery 11 (5), 355, 2012
Hit discovery and hit-to-lead approaches
GM Keserű, GM Makara
Drug discovery today 11 (15-16), 741-748, 2006
Impact of lipophilic efficiency on compound quality
A Tarcsay, K Nyíri, GM Keserű
Journal of medicinal chemistry 55 (3), 1252-1260, 2012
Thermodynamics guided lead discovery and optimization
GG Ferenczy, GM Keserű
Drug discovery today 15 (21-22), 919-932, 2010
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
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods
GM Keserü
Bioorganic & medicinal chemistry letters 13 (16), 2773-2775, 2003
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
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
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
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
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
Contributions of Molecular Properties to Drug Promiscuity: Miniperspective
A Tarcsay, GM Keserű
Journal of medicinal chemistry 56 (5), 1789-1795, 2013
A neural network based virtual screening of cytochrome P450 3A4 inhibitors
L Molnár, GM Keserű
Bioorganic & medicinal chemistry letters 12 (3), 419-421, 2002
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
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
A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolism
GM Keserű
Journal of computer-aided molecular design 15 (7), 649-657, 2001
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
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