Recent Advances on P-Glycoprotein (ABCB1) Transporter Modelling with In Silico Methods
Mora Lagares, Liadys, Novič, Marjana
Published in International journal of molecular sciences (26.11.2022)
Published in International journal of molecular sciences (26.11.2022)
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Journal Article
Exploring the dynamics of the ABCB1 membrane transporter P-glycoprotein in the presence of ATP and active/non-active compounds through molecular dynamics simulations
Mora Lagares, Liadys, Pérez-Castillo, Yunierkis, Novič, Marjana
Published in Toxicology (Amsterdam) (01.02.2024)
Published in Toxicology (Amsterdam) (01.02.2024)
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Journal Article
Multiclass Classifier for P-Glycoprotein Substrates, Inhibitors, and Non-Active Compounds
Mora Lagares, Liadys, Minovski, Nikola, Novič, Marjana
Published in Molecules (Basel, Switzerland) (25.05.2019)
Published in Molecules (Basel, Switzerland) (25.05.2019)
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Journal Article
Homology Modeling of the Human P-glycoprotein (ABCB1) and Insights into Ligand Binding through Molecular Docking Studies
Mora Lagares, Liadys, Minovski, Nikola, Caballero Alfonso, Ana Yisel, Benfenati, Emilio, Wellens, Sara, Culot, Maxime, Gosselet, Fabien, Novič, Marjana
Published in International journal of molecular sciences (05.06.2020)
Published in International journal of molecular sciences (05.06.2020)
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Journal Article
Prediction of Transmembrane Regions, Cholesterol, and Ganglioside Binding Sites in Amyloid-Forming Proteins Indicate Potential for Amyloid Pore Formation
Venko, Katja, Novič, Marjana, Stoka, Veronika, Žerovnik, Eva
Published in Frontiers in molecular neuroscience (10.02.2021)
Published in Frontiers in molecular neuroscience (10.02.2021)
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Journal Article
Assessment of applicability domain for multivariate counter-propagation artificial neural network predictive models by minimum Euclidean distance space analysis: A case study
Minovski, Nikola, Župerl, Špela, Drgan, Viktor, Novič, Marjana
Published in Analytica chimica acta (08.01.2013)
Published in Analytica chimica acta (08.01.2013)
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Journal Article
Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives
Fjodorova, Natalja, Novič, Marjana, Venko, Katja, Rasulev, Bakhtiyor, Türker Saçan, Melek, Tugcu, Gulcin, Sağ Erdem, Safiye, Toropova, Alla P, Toropov, Andrey A
Published in International journal of molecular sciences (15.09.2023)
Published in International journal of molecular sciences (15.09.2023)
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Journal Article
Milestones in graphical bioinformatics
Randic, Milan, Novic, Marjana, Plavsic, Dejan
Published in International journal of quantum chemistry (15.11.2013)
Published in International journal of quantum chemistry (15.11.2013)
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Journal Article
Structural Analysis and Dynamic Processes of the Transmembrane Segment Inside Different Micellar Environments-Implications for the TM4 Fragment of the Bilitranslocase Protein
Szutkowski, Kosma, Sikorska, Emilia, Bakanovych, Iulia, Choudhury, Amrita Roy, Perdih, Andrej, Jurga, Stefan, Novič, Marjana, Zhukov, Igor
Published in International journal of molecular sciences (26.08.2019)
Published in International journal of molecular sciences (26.08.2019)
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Journal Article
Development of models for prediction of the antioxidant activity of derivatives of natural compounds
Martinčič, Rok, Kuzmanovski, Igor, Wagner, Alain, Novič, Marjana
Published in Analytica chimica acta (08.04.2015)
Published in Analytica chimica acta (08.04.2015)
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Journal Article
Counter-propagation neural networks in Matlab
Kuzmanovski, Igor, Novič, Marjana
Published in Chemometrics and intelligent laboratory systems (15.01.2008)
Published in Chemometrics and intelligent laboratory systems (15.01.2008)
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Journal Article