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2013
Discovery of a Novel Selective PPAR Ligand with Partial Agonist Binding Properties by Integrated in Silico in Vitro Work Flow
Kouskoumvekaki I, Petersen RK, Fratev F, Taboureau O, Nielsen TE, Oprea TI, Sonne S, Flindt E, Jónsdóttir SO, Kristiansen K
J. Chem. Inf. Model., DOI: 10.1021/ci3006148, 2013 |
PubMed
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2012
Prediction of drug efficacy for cancer treatment based on comparative analysis of chemosensitivity and gene expression data
Wan P, Li Q, Larsen JE, Eklund AC, Parlesak A, Rigina O, Nielsen SJ, Björkling F, Jónsdóttir SÓ
Bioorg Med Chem., 2012 |
PubMed
Relevant URL
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2010
The phosphorylation specificity of B-RAF(WT), B-RAF(D594V), B-RAF(V600E) and B-RAF(K601E) kinases: An in silico study
Fratev F, Jónsdóttir SO
J Mol Graph Model. 28(7):598-603, 2010 |
PubMed
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2009
An in silico study of the molecular basis of B-RAF activation and conformational stability
Fratev FF, Jónsdóttir SÓ
BMC Structural Biology, 9:47, 2009 |
PubMed
Link to publication
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Molecular basis of inactive B-RAF(WT) and B-RAF(V600E) ligand inhibition, selectivity and conformational stability: an in silico study.
Fratev F, Jónsdóttir SO, Mihaylova E, Pajeva I
Molecular Pharmaceutics, 2009 Jan-Feb;6(1):144-57, 2009 |
PubMed
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2008
Prediction of pH-dependent solubility of Histone Deacetylase (HDAC)inhibitors
Kouskoumvekaki I, Hansen NT, Björkling F, Vadlamudi SM, Jónsdóttir SÓ
SAR and QSAR in Environmental Research, 19, 167-177, 2008, 2008 |
PubMed
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Identification of biomarkers for genotyping Aspergilli using non-linear methods for clustering and classification
Kouskoumvekaki I, Yang Z, Jonsdottir SO, Olsson L, Panagiotou G
BMC Bioinformatics,28;9(1):59, 2008 |
PubMed
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2007
Kemoinformatik: Lær computeren at finde nye lægemidler
Kouskoumvekaki I, Hansen NT, Jónsdóttir SÓ
Dansk Kemi, 88(8),23-25, 2007 |
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Monitoring novel metabolic pathways using metabolomics and machine learning: induction of the phosphoketolase pathway in Aspergillus nidulans cultivations
Panagiotou G, Kouskoumvekaki I, Jónsdóttir SÓ, Olsson L
Metabolomics,3,503-516, 2007 |
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2006
Prediction of pH-Dependent Aqueous Solubility of Druglike Molecules
Hansen NT, Kouskoumvekaki I, Jørgensen FS, Brunak S, Jónsdóttir SÓ
Chem. Inf. Model., 46, 2601-9, 2006 |
PubMed
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2005
Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates
Jonsdottir SO, Jorgensen FS, Brunak S
Bioinformatics, 15;21, 2145-60, 2005 |
PubMed
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This file was last modified Friday 3rd of September 2010 09:03:29 GMT |
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