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leo ghemtio
leo ghemtio
Centre for Drug Research, Faculty of Pharmacy, University of Helsinki, Finland
Adresse e-mail validée de helsinki.fi
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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
632014
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
392019
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
332017
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
262008
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
222016
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
222015
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
202013
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
182012
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
152014
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
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
102012
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
92020
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
72018
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
72017
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
72013
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
AICAR and compound C negatively modulate HCC-induced primary human hepatic stellate cell activation in vitro
K Böttcher, L Longato, G Marrone, G Mazza, L Ghemtio, A Hall, TV Luong, ...
American Journal of Physiology-Gastrointestinal and Liver Physiology 320 (4 …, 2021
52021
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
52021
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
42015
Efficiency of a hierarchical protocol for high throughput structure-based virtual screening on GRID5000 cluster grid
L Ghemtio, E Jeannot, B Maigret
Open Access Bioinform 2, 41-53, 2010
32010
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