Structure-Function Relationships in the Human P-Glycoprotein (ABCB1): Insights from Molecular Dynamics Simulations von Mora Lagares, Liadys, Pérez-Castillo, Yunierkis, Minovski, Nikola, Novič, Marjana

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Multiclass Classifier for P-Glycoprotein Substrates, Inhibitors, and Non-Active Compounds von Mora Lagares, Liadys, Minovski, Nikola, Novič, Marjana

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Homology Modeling of the Human P-glycoprotein (ABCB1) and Insights into Ligand Binding through Molecular Docking Studies von Mora Lagares, Liadys, Minovski, Nikola, Caballero Alfonso, Ana Yisel, Benfenati, Emilio, Wellens, Sara, Culot, Maxime, Gosselet, Fabien, Novič, Marjana

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Recent Advances on P-Glycoprotein (ABCB1) Transporter Modelling with In Silico Methods von Mora Lagares, Liadys, Novič, Marjana

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Exploring the dynamics of the ABCB1 membrane transporter P-glycoprotein in the presence of ATP and active/non-active compounds through molecular dynamics simulations von Mora Lagares, Liadys, Pérez-Castillo, Yunierkis, Novič, Marjana

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Exploration of structural requirements for azole chemicals towards human aromatase CYP19A1 activity: Classification modeling, structure-activity relationships and read-across study von Caballero Alfonso, Ana Y., Mora Lagares, Liadys, Novic, Marjana, Benfenati, Emilio, Kumar, Anil, Chayawan

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Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach von Mora Lagares, Liadys, Vračko, Marjan

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Computational Tools to Facilitate Early Warning of New Emerging Risk Chemicals von Tariq, Farina, Ahrens, Lutz, Alygizakis, Nikiforos A, Audouze, Karine, Benfenati, Emilio, Carvalho, Pedro N, Chelcea, Ioana, Karakitsios, Spyros, Karakoltzidis, Achilleas, Kumar, Vikas, Mora Lagares, Liadys, Sarigiannis, Dimosthenis, Selvestrel, Gianluca, Taboureau, Olivier, Vorkamp, Katrin, Andersson, Patrik L

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Cyclosporin A toxicity on endothelial cells differentiated from induced pluripotent stem cells: Assembling an adverse outcome pathway von Mazidi, Zahra, Wieser, Matthias, Spinu, Nicoleta, Weidinger, Adelheid, Kozlov, Andrey V., Vukovic, Kristijan, Wellens, Sara, Murphy, Cormac, Singh, Pranika, Lagares, Liadys Mora, Bobbili, Madhusudhan Reddy, Liendl, Lisa, Schosserer, Markus, Diendorfer, Andreas, Bettelheim, Bruno, Eilenberg, Wolf, Exner, Thomas, Culot, Maxime, Jennings, Paul, Wilmes, Anja, Novic, Marjana, Benfenati, Emilio, Grillari-Voglauer, Regina, Grillari, Johannes

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Exploring BPA alternatives – Environmental levels and toxicity review von Adamovsky, Ondrej, Groh, Ksenia J., Białk-Bielińska, Anna, Escher, Beate I., Beaudouin, R., Mora Lagares, Liadys, Tollefsen, Knut Erik, Fenske, Martina, Mulkiewicz, Ewa, Creusot, Nicolas, Sosnowska, Anita, Loureiro, Susana, Beyer, Jonny, Repetto, Guillermo, Štern, Alja, Lopes, Isabel, Monteiro, Marta, Zikova-Kloas, Andrea, Eleršek, Tina, Vračko, Marjan, Zdybel, Szymon, Puzyn, Tomasz, Koczur, Weronika, Ebsen Morthorst, Jane, Holbech, Henrik, Carlsson, Gunnar, Örn, Stefan, Herrero, Óscar, Siddique, Ayesha, Liess, Matthias, Braun, Georg, Srebny, Vanessa, Žegura, Bojana, Hinfray, Nathalie, Brion, François, Knapen, Dries, Vandeputte, Ellen, Stinckens, Evelyn, Vergauwen, Lucia, Behrendt, Lars, João Silva, Maria, Blaha, Ludek, Kyriakopoulou, Katerina

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Exploring BPA alternatives – Environmental levels and toxicity review von Adamovsky, Ondrej, Groh, Ksenia J., Białk-Bielińska, Anna, Escher, Beate I., Beaudouin, R., Mora Lagares, Liadys, Tollefsen, Knut-Erik, Fenske, Martina, Mulkiewicz, Ewa, Creusot, Nicolas, Sosnowska, Anita, Loureiro, Susana, Beyer, Jonny, Repetto, Guillermo, Štern, Alja, Lopes, Isabel, Monteiro, Marta, Zikova-Kloas, Andrea, Eleršek, Tina, Vračko, Marjan, Zdybel, Szymon, Puzyn, Tomasz, Koczur, Weronika, Ebsen Morthorst, Jane, Holbech, Henrik, Carlsson, Gunnar, Örn, Stefan, Herrero, Óscar, Siddique, Ayesha, Liess, Matthias, Braun, Georg, Srebny, Vanessa, Žegura, Bojana, Hinfray, Nathalie, Brion, François, Knapen, Dries, Vandeputte, Ellen, Stinckens, Evelyn, Vergauwen, Lucia, Behrendt, Lars, João Silva, Maria, Blaha, Ludek, Kyriakopoulou, Katerina

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Exploring BPA alternatives – Environmental levels and toxicity review von Adamovsky, Ondrej, Groh, Ksenia J., Białk-Bielińska, Anna, Escher, Beate I., Beaudouin, R., Mora Lagares, Liadys, Tollefsen, Knut-Erik, Fenske, Martina, Mulkiewicz, Ewa, Creusot, Nicolas, Sosnowska, Anita, Loureiro, Susana, Beyer, Jonny, Repetto, Guillermo, Štern, Alja, Lopes, Isabel, Monteiro, Marta, Zikova-Kloas, Andrea, Eleršek, Tina, Vračko, Marjan, Zdybel, Szymon, Puzyn, Tomasz, Koczur, Weronika, Ebsen Morthorst, Jane, Holbech, Henrik, Carlsson, Gunnar, Örn, Stefan, Herrero, Óscar, Siddique, Ayesha, Liess, Matthias, Braun, Georg, Srebny, Vanessa, Žegura, Bojana, Hinfray, Nathalie, Brion, François, Knapen, Dries, Vandeputte, Ellen, Stinckens, Evelyn, Vergauwen, Lucia, Behrendt, Lars, João Silva, Maria, Blaha, Ludek, Kyriakopoulou, Katerina

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Probabilistic modelling of developmental neurotoxicity based on a simplified adverse outcome pathway network von Spînu, Nicoleta, Cronin, Mark T.D., Lao, Junpeng, Bal-Price, Anna, Campia, Ivana, Enoch, Steven J., Madden, Judith C., Mora Lagares, Liadys, Novič, Marjana, Pamies, David, Scholz, Stefan, Villeneuve, Daniel L., Worth, Andrew P.

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Molecular Modeling Study on Morphine Derivatives Using Density Functional Methods and Molecular Descriptors von Cotua, Jose, Cotes, Sandra, Castro, Pedro, Castro, Fernando, Mora, Liadys

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Computational Study of Hydrogen Bonding in Substituted Phenol-Acetonitrile-Water Clusters von José, Cotuá V., Sandra, Cotes O., Fernando, Castro G., Pedro, Castro P., Liadys, Mora L.

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Relaciones de estructura-función en la P-glicoproteína humana (ABCB1): Perspectivas de las simulaciones de dinámica molecular von Mora Lagares, Liadys, Pérez Castillo, Yunierkis, Minovski, Nikola, Noviˇc, Marjana

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Exploring BPA alternatives – Environmental levels and toxicity review von Adamovsky, Ondrej, Groh, Ksenia J, Białk-Bielińska, Anna, Escher, Beate I, Beaudouin, R, Mora Lagares, Liadys, Tollefsen, Knut-Erik, Fenske, Martina, Mulkiewicz, Ewa, Creusot, Nicolas, Sosnowska, Anita, Loureiro, Susana, Beyer, Jonny, Repetto, Guillermo, Štern, Alja, Lopes, Isabel, Monteiro, Marta, Zikova-Kloas, Andrea, Eleršek, Tina, Vračko, Marjan, Zdybel, Szymon, Puzyn, Tomasz, Koczur, Weronika, Ebsen Morthorst, Jane, Holbech, Henrik, Carlsson, Gunnar, Örn, Stefan, Herrero, Óscar, Siddique, Ayesha, Liess, Matthias, Braun, Georg, Srebny, Vanessa, Žegura, Bojana, Hinfray, Nathalie, Brion, François, Knapen, Dries, Vandeputte, Ellen, Stinckens, Evelyn, Vergauwen, Lucia, Behrendt, Lars, João Silva, Maria, Blaha, Ludek, Kyriakopoulou, Katerina

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Exploring BPA alternatives – Environmental levels and toxicity review von Adamovsky, Ondrej, Groh, Ksenia J, Białk-Bielińska, Anna, Escher, Beate I, Beaudouin, R, Mora Lagares, Liadys, Tollefsen, Knut-Erik, Fenske, Martina, Mulkiewicz, Ewa, Creusot, Nicolas, Sosnowska, Anita, Loureiro, Susana, Beyer, Jonny, Repetto, Guillermo, Štern, Alja, Lopes, Isabel, Monteiro, Marta, Zikova-Kloas, Andrea, Eleršek, Tina, Vračko, Marjan, Zdybel, Szymon, Puzyn, Tomasz, Koczur, Weronika, Ebsen Morthorst, Jane, Holbech, Henrik, Carlsson, Gunnar, Örn, Stefan, Herrero, Óscar, Siddique, Ayesha, Liess, Matthias, Braun, Georg, Srebny, Vanessa, Žegura, Bojana, Hinfray, Nathalie, Brion, François, Knapen, Dries, Vandeputte, Ellen, Stinckens, Evelyn, Vergauwen, Lucia, Behrendt, Lars, João Silva, Maria, Blaha, Ludek, Kyriakopoulou, Katerina

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