leo ghemtio
leo ghemtio
Centre for Drug Research, Faculty of Pharmacy, University of Helsinki, Finland
Verified email at helsinki.fi
Title
Cited by
Cited by
Year
Screening and characterisation of antimicrobial properties of semisynthetic betulin derivatives
S Haque, DA Nawrot, S Alakurtti, L Ghemtio, J Yli-Kauhaluoma, ...
PLoS One 9 (7), e102696, 2014
512014
Structural isosteres of phosphate groups in the Protein Data Bank
Y Zhang, A Borrel, L Ghemtio, L Regad, G Boije af Gennäs, ...
Journal of chemical information and modeling 57 (3), 499-516, 2017
272017
Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichment
A Beautrait, V Leroux, M Chavent, L Ghemtio, MD Devignes, ...
Journal of molecular modeling 14 (2), 135-148, 2008
272008
IDAAPM: integrated database of ADMET and adverse effects of predictive modeling based on FDA approved drug data
A Legehar, H Xhaard, L Ghemtio
Journal of cheminformatics 8 (1), 1-11, 2016
192016
Exploring the structure–activity relationships of ABCC2 modulators using a screening approach
G Wissel, P Kudryavtsev, L Ghemtio, P Tammela, P Wipf, M Yliperttula, ...
Bioorganic & medicinal chemistry 23 (13), 3513-3525, 2015
192015
Tamoxifen mechanically deactivates hepatic stellate cells via the G protein-coupled estrogen receptor
E Cortes, D Lachowski, A Rice, SD Thorpe, B Robinson, G Yeldag, ...
Oncogene 38 (16), 2910-2922, 2019
182019
Recent trends and applications in 3D virtual screening
L Ghemtio, V I Perez-Nueno, V Leroux, Y Asses, M Souchet, L Mavridis, ...
Combinatorial chemistry & high throughput screening 15 (9), 749-769, 2012
152012
SVM classification and CoMSIA modeling of UGT1A6 interacting molecules
L Ghemtio, A Soikkeli, M Yliperttula, J Hirvonen, M Finel, H Xhaard
Journal of chemical information and modeling 54 (4), 1011-1026, 2014
142014
Applying linear and non-linear methods for parallel prediction of volume of distribution and fraction of unbound drug
EM del Amo, L Ghemtio, H Xhaard, M Yliperttula, A Urtti, H Kidron
PloS one 8 (10), e74758, 2013
142013
Comparison of three preprocessing filters efficiency in virtual screening: identification of new putative LXRβ regulators as a test case
L Ghemtio, MD Devignes, M Smaïl-Tabbone, M Souchet, V Leroux, ...
Journal of chemical information and modeling 50 (5), 701-715, 2010
122010
A structure-activity relationship study of ABCC2 inhibitors
G Wissel, F Deng, P Kudryavtsev, L Ghemtio, P Wipf, H Xhaard, H Kidron
European Journal of Pharmaceutical Sciences 103, 60-69, 2017
62017
Predictive modeling of ocular pharmacokinetics and adverse effects
L Ghemtio, H Xhaard, A Urtti, H Kidron
Current pharmaceutical design 22 (46), 6928-6934, 2016
62016
Retrospective molecular docking study of WY-25105 ligand to β-secretase and bias of the three-dimensional structure flexibility
L Ghemtio, N Muzet
Journal of molecular modeling 19 (8), 2971-2979, 2013
62013
CoMFA/CoMSIA and pharmacophore modelling as a powerful tools for efficient virtual screening: Application to anti-leishmanial betulin derivatives
L Ghemtio, Y Zhang, H Xhaard
Virtual Screen, 55-82, 2012
62012
Virtual screening
M Taha
BoD–Books on Demand, 2012
52012
Efficiency of a hierarchical protocol for high throughput structure-based virtual screening on GRID5000 cluster grid
L Ghemtio, E Jeannot, B Maigret
Open Access Bioinformatics 2, 41-53, 2010
42010
Adenosine analogs bearing phosphate isosteres as human MDO1 ligands
Y Zhang, M Jumppanen, MM Maksimainen, S Auno, Z Awol, L Ghemtio, ...
Bioorganic & medicinal chemistry 26 (8), 1588-1597, 2018
32018
Integrated In VitroIn Silico Screening Strategy for the Discovery of Antibacterial Compounds
S Nybond, L Ghemtio, DA Nawrot, M Karp, H Xhaard, P Tammela
Assay and drug development technologies 13 (1), 25-33, 2015
32015
Installation of an aryl boronic acid function into the external section of N-aryl-oxazolidinones: Synthesis and antimicrobial evaluation
CD Cruz, P Wrigstedt, K Moslova, V Iashin, H Mäkkylä, L Ghemtio, ...
European Journal of Medicinal Chemistry 211, 113002, 2021
12021
Binding site interactions of modulators of breast cancer resistance protein, multidrug resistance-associated protein 2, and p-glycoprotein activity
F Deng, L Ghemtio, E Grazhdankin, P Wipf, H Xhaard, H Kidron
Molecular pharmaceutics 17 (7), 2398-2410, 2020
12020
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