Identification of LasR Ligands through a Virtual Screening Approach

Skovstrup, Søren ; Le Quement, Sebastian Thordal ; Hansen, Thomas ; Jakobsen, Tim Holm ; Harmsen, Morten ; Tolker‐Nielsen, Tim ; Nielsen, Thomas Eiland ; Givskov, Michael Christian ; Taboureau, Olivier

in journal: ChemMedChem (ISSN: 1860-7179) (DOI: http://dx.doi.org/10.1002/cmdc.201200434), vol: 8, issue: 1, pages: 157-163, 2013

Type: Journal article - Journal article

DOI: 10.1002/cmdc.201200434

ChemProt-2.0: visual navigation in a disease chemical biology database

Kjærulff, Sonny Kim ; Wich, Louis ; Kringelum, Jens Vindahl ; Jacobsen, Ulrik Plesner ; Kouskoumvekaki, Irene ; Audouze, Karine Marie Laure ; Lund, Ole ; Brunak, Søren ; Oprea, Tudor ; Taboureau, Olivier

in journal: Nucleic Acids Research (ISSN: 0305-1048) (DOI: http://dx.doi.org/10.1093/nar/gks1166), vol: 41, issue: D1, pages: D464-D469, 2013

Type: Journal article - Journal article

DOI: 10.1093/nar/gks1166

Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico / in vitro work flow

Kouskoumvekaki, Irene ; Petersen, Rasmus K. ; Fratev, Filip Filipov ; Taboureau, Olivier ; Nielsen, Thomas Eiland ; Oprea, Tudor ; Sonne, Si Brask ; Flindt, Esben N. ; Jonsdottir, Svava Osk ; Kristiansen, Karsten

in journal: Journal of Chemical Information and Modeling (ISSN: 1549-9596) (DOI: http://dx.doi.org/10.1021/ci3006148), vol: 53, issue: 4, pages: 923-937, 2013

Type: Journal article - Journal article

DOI: 10.1021/ci3006148

HExpoChem: a systems biology resource to explore human exposure to chemicals

Taboureau, Olivier ; Jacobsen, Ulrik Plesner ; Kalhauge, Christian Gram ; Edsgard, Stefan Daniel ; Rigina, Olga ; Gupta, Ramneek ; Audouze, Karine Marie Laure

in journal: Bioinformatics (ISSN: 1367-4803) (DOI: http://dx.doi.org/10.1093/bioinformatics/btt112), vol: 29, issue: 9, pages: 201231-1232, 2013

Type: Journal article - Journal article

DOI: 10.1093/bioinformatics/btt112

Established and Emerging Trends in Computational Drug Discovery in the Structural Genomics Era

Taboureau, Olivier ; Baell, Jonathan B. ; Fernández-Recio, Juan ; Villoutreix, Bruno O.

in journal: Chemistry & Biology (ISSN: 1074-5521) (DOI: http://dx.doi.org/10.1016/j.chembiol.2011.12.007), vol: 19, issue: 1, pages: 29-41, 2012

Type: Journal article - Journal article

DOI: 10.1016/j.chembiol.2011.12.007

Of possible cheminformatics futures

Oprea, Tudor I. ; Taboureau, Olivier ; Bologa, Cristian G.

in journal: Journal of Computer - Aided Molecular Design (ISSN: 0920-654X) (DOI: http://dx.doi.org/10.1007/s10822-011-9535-9), vol: 26, issue: 1, pages: 107-112, 2012

Type: Journal article - Journal article

DOI: 10.1007/s10822-011-9535-9

System chemical biology studies of endocrine disruptors

Taboureau, Olivier ; Oprea, Tudor I.

Type: Conference abstract for conference - Conference abstract for conference

Presented at: 242nd National Meeting of the American-Chemical-Society (ACS), Denver, CO

The impact of network biology in pharmacology and toxicology

Panagiotou, Gianni ; Taboureau, Olivier

in journal: S A R and Q S A R in Environmental Research (ISSN: 1062-936X) (DOI: http://dx.doi.org/10.1080/1062936X.2012.657237), vol: 23, issue: 3-4, Sp. Iss. SI, pages: 221-235, 2012

Type: Journal article - Journal article

DOI: 10.1080/1062936X.2012.657237

Association between chemical pattern in breast milk and congenital cryptorchidism: modelling of complex human exposures

Krysiak-Baltyn, Konrad ; Toppari, J. ; Skakkebaek, N. E. ; Jensen, Thomas Skøt ; Virtanen, H. E. ; Schramm, K.‐W. ; Shen, Hao ; Vartiainen, T. ; Kiviranta, H. ; Taboureau, Olivier ; Audouze, Karine Marie Laure ; Brunak, Søren ; Main, K. M.

in journal: International Journal of Andrology (ISSN: 0105-6263) (DOI: http://dx.doi.org/10.1111/j.1365-2605.2012.01268.x), vol: 35, issue: 3, pages: 294-302, 2012

Type: Journal article - Journal article

DOI: 10.1111/j.1365-2605.2012.01268.x

Toxicogenomics Investigation Under the eTOX Project

Taboureau, Olivier ; Hersey, Anne ; Audouze, Karine Marie Laure ; Gautier, Laurent ; Jacobsen, Ulrik Plesner ; Akhtar, Ruth ; Atkinson, Francis ; Overington, John P. ; Brunak, Søren

in journal: Journal of Pharmacogenomics & Pharmacoproteomics (ISSN: 2153-0645) (DOI: http://dx.doi.org/10.4172/2153-0645.S7-001), 2012

Type: Journal article - Journal article

DOI: 10.4172/2153-0645.S7-001

A Steered Molecular Dynamics Study of Binding and Translocation Processes in the GABA Transporter

Skovstrup, Soren ; David, Laurent ; Taboureau, Olivier ; Jorgensen, Flemming Steen

in journal: P L o S One (ISSN: 1932-6203) (DOI: http://dx.doi.org/10.1371/journal.pone.0039360), vol: 7, issue: 6, pages: -, 2012

Type: Journal article - Journal article

DOI: 10.1371/journal.pone.0039360

ChemProt: a disease chemical biology database

Taboureau, Olivier ; Kjærulff, Sonny Kim ; Audouze, Karine Marie Laure ; Weinhold, Nils ; Edsgard, Stefan Daniel ; Roque, francisco jose sousa simôes almeida ; Kouskoumvekaki, Irene ; Bora, A. ; Curpan, R. ; Jensen, Thomas Skøt ; Brunak, Søren ; Oprea, Tudor

in journal: Nucleic Acids Research (ISSN: 0305-1048) (DOI: http://dx.doi.org/10.1093/nar/gkq906), vol: 39, issue: Issue Suppl. 1, pages: D367-372, 2011

Type: Journal article - Journal article

DOI: 10.1093/nar/gkq906

Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing

Oprea, Tudor ; Kjærulff, Sonny Kim ; Ursu, Oleg ; Yang, Jeremy J. ; Taboureau, Olivier ; Mathias, Stephen L. ; Kouskoumvekaki, Irene ; Sklar, Larry A. ; Bologa, Cristian G.

in journal: Molecular Informatics (ISSN: 1868-1743) (DOI: http://dx.doi.org/10.1002/minf.201100023), vol: 30, issue: 2-3, pages: 100-111, 2011

Type: Conference article - Conference article

Presented at: 18th European Symposium on Quantitative Structure-Activity Relationships, Rhodes

DOI: 10.1002/minf.201100023

In Silico Predictions of hERG Channel Blockers in Drug Discovery

Taboureau, Olivier ; Sørensen, Flemming Steen

in journal: Combinatorial Chemistry & High Throughput Screening (ISSN: 1386-2073), vol: 14, issue: 5, pages: 375-387, 2011

Type: Journal article - Journal article

Country-specific chemical signatures of persistent environmental compounds in breast milk

Krysiak-Baltyn, Konrad ; Toppari, J. ; Skakkebaek, N.E. ; Jensen, Thomas Skøt ; Virtanen, H.E. ; Schramm, K.W. ; Shen, H. ; Vartiainen, T. ; Kiviranta, H. ; Taboureau, Olivier ; Brunak, Søren ; Main, K.M.

in journal: International Journal of Andrology (ISSN: 0105-6263) (DOI: http://dx.doi.org/10.1111/j.1365-2605.2009.00996.x), vol: 33, issue: 2, pages: 270-278, 2010

Type: Journal article - Journal article

DOI: 10.1111/j.1365-2605.2009.00996.x

Mutational Mapping and Modeling of the Binding Site for (S)-Citalopram in the Human Serotonin Transporter

Andersen, Jacob ; Olsen, Lars ; Hansen, Kasper B. ; Taboureau, Olivier ; Jørgensen, Flemming S. ; Jorgensen, Anne Marie ; Bang-Andersen, Benny ; Egebjerg, Jan ; Stromgaard, Kristian ; Kristensen, Anders S

in journal: Journal of Biological Chemistry (ISSN: 0021-9258) (DOI: http://dx.doi.org/10.1074/jbc.M109.072587), vol: 285, issue: 3, pages: 2051-2063, 2010

Type: Journal article - Journal article

DOI: 10.1074/jbc.M109.072587

Deciphering Diseases and Biological Targets for Environmental Chemicals using Toxicogenomics Networks

Audouze, Karine Marie Laure ; Juncker, Agnieszka ; Roque, francisco jose sousa simôes almeida ; Krysiak-Baltyn, Konrad ; Weinhold, Nils ; Taboureau, Olivier ; Jensen, Thomas Skøt ; Brunak, Søren

in journal: P L o S Computational Biology (ISSN: 1553-734X) (DOI: http://dx.doi.org/10.1371/journal.pcbi.1000788), vol: 6, issue: 5, pages: e1000788, 2010

Type: Journal article - Journal article

DOI: 10.1371/journal.pcbi.1000788

Homology Modelling of the GABA Transporter and Analysis of Tiagabine Binding

Skovstrup, S. ; Taboureau, Olivier ; Bräuner-Osborne, H. ; Jørgensen, FS

in journal: ChemMedChem (ISSN: 1860-7179) (DOI: http://dx.doi.org/10.1002/cmdc.201000100), vol: 5, issue: 7, pages: 986-1000, 2010

Type: Journal article - Journal article

DOI: 10.1002/cmdc.201000100

Classification of Cytochrome P450 1A2 Inhibitors and Non-Inhibitors by Machine Learning Techniques

Vasanthanathan, Poongavanam ; Taboureau, Olivier ; Oostenbrink, Chris ; Vermeulen, Nico P.E. ; Olsen, Lars ; Jørgensen, Flemming Steen

in journal: Drug Metabolism and Disposition (ISSN: 0090-9556) (DOI: http://dx.doi.org/10.1124/dmd.108.023507), vol: 37, issue: 3, pages: 658-664, 2009

Type: Journal article - Journal article

DOI: 10.1124/dmd.108.023507

Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands

Vasanthanathan, P. ; Hritz, Jozef ; Taboureau, Olivier ; Olsen, Lars ; Jørgensen, F.S. ; Vermeulen, N.P.E. ; Oostenbrink, C.

in journal: Journal of Chemical Information and Modeling (ISSN: 1549-9596) (DOI: http://dx.doi.org/10.1021/ci800371f), vol: 49, issue: 1, pages: 43-52, 2009

Type: Journal article - Journal article

DOI: 10.1021/ci800371f