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2013 (1) 2012 (1) 2010 (1) 2009 (2) 2008 (2) 2007 (2) 2006 and before (2)

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

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

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

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
    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

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
    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

2007

    Kemoinformatik: Lær computeren at finde nye lægemidler
    Kouskoumvekaki I, Hansen NT, Jónsdóttir SÓ
    Dansk Kemi, 88(8),23-25, 2007
    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

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

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

2013 (1) 2012 (1) 2010 (1) 2009 (2) 2008 (2) 2007 (2) 2006 and before (2)