Publications by authors named "Samo Turk"

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From Cancer to Pain Target by Automated Selectivity Inversion of a Clinical Candidate.
Samo Turk, Benjamin Merget, Sameh Eid, Simone Fulle

J Med Chem· June 2018

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Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition.
Sabrina Jaeger, Simone Fulle, Samo Turk

J Chem Inf Model· January 2018

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Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization.
Samo Turk, Benjamin Merget, Friedrich Rippmann, Simone Fulle

J Chem Inf Model· December 2017

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Profiling Prediction of Kinase Inhibitors: Toward the Virtual Assay.
Benjamin Merget, Samo Turk, Sameh Eid, Friedrich Rippmann, Simone Fulle

J Med Chem· January 2017

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KinMap: a web-based tool for interactive navigation through human kinome data.
Sameh Eid, Samo Turk, Andrea Volkamer, Friedrich Rippmann, Simone Fulle

BMC Bioinformatics· January 2017

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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Uli Fechner, Chris de Graaf, Andrew E Torda, Stefan Güssregen, Andreas Evers, Samo Turk

J Cheminform· April 2016

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Unusual substrate specificity of the peptidoglycan MurE ligase from Erysipelothrix rhusiopathiae.
Delphine Patin, Samo Turk, Hélène Barreteau, Jean-Luc Mainardi, Michel Arthur

Biochimie· February 2016

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Identification and Visualization of Kinase-Specific Subpockets.
Andrea Volkamer, Sameh Eid, Samo Turk, Friedrich Rippmann, Simone Fulle

J Chem Inf Model· February 2016

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Molecular dynamics to enhance structure-based virtual screening on cathepsin B.
Mitja Ogrizek, Samo Turk, Samo Lešnik, Izidor Sosič, Milan Hodošček

J Comput Aided Mol Des· August 2015

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Pocketome of human kinases: prioritizing the ATP binding sites of (yet) untapped protein kinases for drug discovery.
Andrea Volkamer, Sameh Eid, Samo Turk, Sabrina Jaeger, Friedrich Rippmann

J Chem Inf Model· March 2015

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Design, synthesis, and evaluation of new thiadiazole-based direct inhibitors of enoyl acyl carrier protein reductase (InhA) for the treatment of tuberculosis.
Roman Šink, Izidor Sosič, Matej Živec, Raquel Fernandez-Menendez, Samo Turk

J Med Chem· January 2015

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Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.
Boris Brus, Urban Košak, Samo Turk, Anja Pišlar, Nicolas Coquelle

J Med Chem· October 2014

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Novel toll-like receptor 4 (TLR4) antagonists identified by structure- and ligand-based virtual screening.
Urban Švajger, Boris Brus, Samo Turk, Matej Sova, Vesna Hodnik

Eur J Med Chem· September 2014

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Endocrine disruptome--an open source prediction tool for assessing endocrine disruption potential through nuclear receptor binding.
Katra Kolšek, Janez Mavri, Marija Sollner Dolenc, Stanislav Gobec, Samo Turk

J Chem Inf Model· April 2014

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Cinnamic acid derivatives induce cell cycle arrest in carcinoma cell lines.
Matej Sova, Željko Žižak, Jelena A Antic Stanković, Matevž Prijatelj, Samo Turk

Med Chem· August 2013

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Structure-activity relationships of new cyanothiophene inhibitors of the essential peptidoglycan biosynthesis enzyme MurF.
Martina Hrast, Samo Turk, Izidor Sosič, Damijan Knez, Christopher P Randall

Eur J Med Chem· August 2013

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Biochemical characterization of MurF from Streptococcus pneumoniae and the identification of a new MurF inhibitor through ligand-based virtual screening.
Samo Turk, Martina Hrast, Izidor Sosic, Hélène Barreteau, Dominique Mengin-Lecreulx

Acta Chim Slov· August 2013

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2,3-Diarylpropenoic acids as selective non-steroidal inhibitors of type-5 17β-hydroxysteroid dehydrogenase (AKR1C3).
Martin Gazvoda, Nataša Beranič, Samo Turk, Bojan Burja, Marijan Kočevar

Eur J Med Chem· April 2013

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Virtual screening yields inhibitors of novel antifungal drug target, benzoate 4-monooxygenase.
Sabina Berne, Barbara Podobnik, Neja Zupanec, Metka Novak, Nada Kraševec, Samo Turk

J Chem Inf Model· November 2012

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The influence of differential processing of procathepsin H on its aminopeptidase activity, secretion and subcellular localization in human cell lines.
Matija Rojnik, Zala R Jevnikar, Bojan Doljak, Samo Turk, Nace Zidar

Eur J Cell Biol· October 2012

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MurD enzymes from different bacteria: evaluation of inhibitors.
Hélène Barreteau, Izidor Sosič, Samo Turk, Jan Humljan, Tihomir Tomašić

Biochem Pharmacol· September 2012

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Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library.
Petra Brožič, Samo Turk, Adegoke O Adeniji, Janez Konc, Dušanka Janežič

J Med Chem· September 2012

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N-Benzoyl anthranilic acid derivatives as selective inhibitors of aldo-keto reductase AKR1C3.
Maša Sinreih, Izidor Sosič, Nataša Beranič, Samo Turk, Adegoke O Adeniji

Bioorg Med Chem Lett· September 2012

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Function of the D-alanine:D-alanine ligase lid loop: a molecular modeling and bioactivity study.
Martina Hrast, Blaž Vehar, Samo Turk, Janez Konc, Stanislav Gobec

J Med Chem· August 2012

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Exploration of the chemical space of novel naphthalene-sulfonamide and anthranilic Acid-based inhibitors of penicillin-binding proteins.
Izidor Sosič, Samo Turk, Maša Sinreih, Nuša Trošt, Olivier Verlaine

Acta Chim Slov· June 2012

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