المؤلفون: A. Lina Heinzke, Barbara Zdrazil, Paul D. Leeson, Robert J. Young, Axel Pahl, Herbert Waldmann, Andrew R. Leach

المصدر: Scientific Data, Vol 11, Iss 1, Pp 1-9 (2024)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2052-4463

URL الوصول: https://doaj.org/article/6b7b2abb2a09429392f3cc739a7e6c8c

المؤلفون: Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona Hunter, Johannes Kirchmair, Karina Martinez-Mayorga, José L. Medina-Franco, Matthias Rarey, Alexander Tropsha, Alexandre Varnek, Barbara Zdrazil

المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-8 (2023)

مصطلحات موضوعية: Exploratory data analysis, Chemography, On-demand compound catalogs, Natural products, ChEMBL, Zika, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/c9a69d2acfea4f7f825f83006b877516

المؤلفون: Barbara Zdrazil, Rajarshi Guha, Karina Martinez-Mayorga, Nina Jeliazkova

المصدر: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-2 (2024)

مصطلحات موضوعية: Information technology, T58.5-58.64, Chemistry, QD1-999

Relation: https://doi.org/10.1186/s13321-023-00798-6; https://doaj.org/toc/1758-2946; https://doaj.org/article/2adb5e769f20498183f0e75377d5d690

الاتاحة: https://doi.org/10.1186/s13321-023-00798-6
https://doaj.org/article/2adb5e769f20498183f0e75377d5d690

المؤلفون: Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, Nina Jeliazkova, Karina Martinez-Mayorga, Eva Nittinger

المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-3 (2023)

مصطلحات موضوعية: Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/fcfad7aacfdf4aebb8312bcd9b732b50

المؤلفون: Evan E. Bolton, Haralambos Sarimveis, Egon L. Willighagen, Hervé Ménager, Susanna-Assunta Sansone, Nina Jeliazkova, Antony J. Williams, Sirarat Sarntivijai, Emma L. Schymanski, Rob Stierum, Karel Berka, Pascal Kahlem, Jos Bessems, Pavel Babica, Montserrat Cases, Ludek Blaha, Hristo Aladjov, Reza Aalizadeh, Karine Audouze, Kasia Arturi, Alasdair Gray, Roland Grafström, Daan P. Geerke, Henner Hollert, Ola Spjuth, John M. Hancock, Kirtan Dave, Dimitrios Ε. Damalas, Thomas Exner, Marco Dilger, Boï Kone, Todor Kondic, Uko Maran, Steffen Neumann, Iseult Lynch, Fabien Jourdan, Philippe Rocca-Serra, Ferran Sanz, Danyel Jennen, Jos Kleinjans, Jana Klanova, Reza M. Salek, Sylvie Remy, Tobias Schulze, Brett Sallach, Penny Nymark, Sergio Martinez Cuesta, Noelia Ramirez, Herbert Oberacher, Craig E. Wheelock, Gerard J.P. van Westen, Barbara Zdrazil, Hilda Witters, Jonathan Tedds, Marvin Martens, Jaroslav Slobodnik, Ralf J.M. Weber, Nikolaos Thomaidis, Anže Županič, Chris T. Evelo

المصدر: F1000Research, Vol 10 (2023)

مصطلحات موضوعية: Toxicology, ELIXIR, interoperability, FAIR, eng, Medicine, Science

وصف الملف: electronic resource

Relation: https://f1000research.com/articles/10-1129/v2; https://doaj.org/toc/2046-1402

URL الوصول: https://doaj.org/article/e59322df245a4fc28be0854e2252ef78

المؤلفون: Eva Nittinger, Alex Clark, Anna Gaulton, Barbara Zdrazil

المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-3 (2023)

مصطلحات موضوعية: Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/5390a48e23d04683a80938ce90f0b9f7

المؤلفون: Rajarshi Guha, Barbara Zdrazil, Nina Jeliazkova, Karina Martinez-Mayorga

المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-2 (2023)

مصطلحات موضوعية: Information technology, T58.5-58.64, Chemistry, QD1-999

Relation: https://doi.org/10.1186/s13321-023-00684-1; https://doaj.org/toc/1758-2946; https://doaj.org/article/437fb32a19ec42b68450772a1c95a6af

الاتاحة: https://doi.org/10.1186/s13321-023-00684-1
https://doaj.org/article/437fb32a19ec42b68450772a1c95a6af

المؤلفون: Barbara Zdrazil, Rajarshi Guha

المصدر: Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-3 (2022)

مصطلحات موضوعية: Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/ba4d7acdb620404e88663f8d1bf72dd6

المؤلفون: Marleen J Meyer (Department of General Pharmacology, Institute of Pharmacology, Center of Drug Absorption and Transport (C_DAT), University Medicine Greifswald), Pascale C F Schreier (Department of General Pharmacology, Institute of Pharmacology, Center of Drug Absorption and Transport (C_DAT), University Medicine Greifswald), Mert Basaran (Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna), Stefaniia Vlasova (Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna), Tina Seitz (Institute of Clinical Pharmacology, University Medical Center Göttingen), Jürgen Brockmöller (Institute of Clinical Pharmacology, University Medical Center Göttingen), Barbara Zdrazil (Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna), Mladen V Tzvetkov (Department of General Pharmacology, Institute of Pharmacology, Center of Drug Absorption and Transport (C_DAT), University Medicine Greifswald)

المصدر: Journal of Biological Chemistry ; issn:0021-9258

مصطلحات موضوعية: organic cation transporter 1, SLC22A1, species differences, membrane transport, structure-function, transmembrane domain, transporter, drug transport, molecular modeling

وصف الملف: application/pdf

Relation: hdl:11353/10.1664303; https://phaidra.univie.ac.at/o:1664303

الاتاحة: https://doi.org/10.1016/j.jbc.2022.101974
https://phaidra.univie.ac.at/o:1664303

المؤلفون: Rajarshi Guha, Egon Willighagen, Barbara Zdrazil, Nina Jeliazkova

المصدر: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-3 (2021)

مصطلحات موضوعية: Cheminformatics, COVID-19, Virtual screening, Pandemic, SARS-CoV-2, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/b3e65ed263a24766b8aa90c9350789ad

المؤلفون: Wanda van der Stel (Division of Drug Discovery and Safety, Leiden Academic Centre of Drug Research, Leiden University), Giada Carta (Division of Molecular and Computational Toxicology, Department of Chemistry and Pharmaceutical Sciences, AIMMS, Vrije Universiteit Amsterdam), Julie Eakins (Cyprotex Discovery Ltd.), Johannes Delp (In vitro Toxicology and Biomedicine, Department inaugurated by the Doerenkamp-Zbinden Foundation, University of Konstanz), Ilinca Suciu (In vitro Toxicology and Biomedicine, Department inaugurated by the Doerenkamp-Zbinden Foundation, University of Konstanz), Anna Forsby (Department of Biochemistry and Biophysics, Stockholm University), Andrea Cediel-Ulloa (Department of Organismal Biology, Uppsala University), Kristina Attoff (Department of Biochemistry and Biophysics, Stockholm University), Florentina Troger (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna), Hennicke Kamp (BASF), Iain Gardner (Certara UK Limited), Barbara Zdrazil (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna), Martijn J. Moné (Division of Drug Discovery and Safety, Leiden Academic Centre of Drug Research, Leiden University), Gerhard F. Ecker (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna), Manuel Pastor (Department of Experimental and Health Sciences, Universitat Pompeu Fabra), Jose Carlos Gómez-Tamayo (Department of Experimental and Health Sciences, Universitat Pompeu Fabra), Andrew White (Unilever), Erik H. J. Danen (Division of Drug Discovery and Safety, Leiden Academic Centre of Drug Research, Leiden University), Marcel Leist (In vitro Toxicology and Biomedicine, Department inaugurated by the Doerenkamp-Zbinden Foundation, University of Konstanz), Paul Walker (Cyprotex Discovery Ltd.), Paul Jennings (Division of Molecular and Computational Toxicology, Department of Chemistry and Pharmaceutical Sciences, AIMMS, Vrije Universiteit Amsterdam), Susanne Hougaard (Bennekou National Food Institute, Technical University of Denmark (DTU)), Bob van de Water (Division of Drug Discovery and Safety, Leiden Academic Centre of Drug Research, Leiden University)

المصدر: ALTEX ; issn:1868-596X

مصطلحات موضوعية: in vitro, mitochondrial toxicity, neurotoxicity, PBK-modelling, uncertainty analysis

وصف الملف: application/pdf

Relation: hdl:11353/10.1604356; https://phaidra.univie.ac.at/o:1604356

الاتاحة: https://doi.org/10.14573/altex.2103051
https://phaidra.univie.ac.at/o:1604356

المؤلفون: Alzbeta Tuerkova (9693392), Orsolya Ungvári (10946917), Réka Laczkó-Rigó (10946920), Erzsébet Mernyák (5905481), Gergely Szakács (2371927), Csilla Özvegy-Laczka (10946923), Barbara Zdrazil (676840)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Pharmacology, Biotechnology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Map Molecular Interactions, drug discovery process, hepatic OATP-ligand interactions, OATP 2B, Data-Driven Ensemble Docking, protein structures, elucidate binding modes, OATP 1B OATP 1B, hepatic OATPs, transporter, Hepatic Organic Anion, model

Relation: https://figshare.com/articles/journal_contribution/Data-Driven_Ensemble_Docking_to_Map_Molecular_Interactions_of_Steroid_Analogs_with_Hepatic_Organic_Anion_Transporting_Polypeptides/14755132

الاتاحة: https://doi.org/10.1021/acs.jcim.1c00362.s001

المؤلفون: Rajarshi Guha, Nina Jeliazkova, Egon Willighagen, Barbara Zdrazil

المصدر: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-2 (2021)

مصطلحات موضوعية: Information technology, T58.5-58.64, Chemistry, QD1-999

Relation: https://doi.org/10.1186/s13321-021-00521-3; https://doaj.org/toc/1758-2946; https://doaj.org/article/0ea3fc6ba4924060b3a5c9372e520e18

الاتاحة: https://doi.org/10.1186/s13321-021-00521-3
https://doaj.org/article/0ea3fc6ba4924060b3a5c9372e520e18

المؤلفون: Alžběta Türková, Barbara Zdrazil

المصدر: Computational and Structural Biotechnology Journal, Vol 17, Iss , Pp 390-405 (2019)

مصطلحات موضوعية: Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037018302940; https://doaj.org/toc/2001-0370

URL الوصول: https://doaj.org/article/6af2b46c731c4d868ded7971ac6a589d

المؤلفون: Matthew Thakur, Alex Bateman, Cath Brooksbank, Mallory Freeberg, Melissa Harrison, Matthew Hartley, Thomas Keane, Gerard Kleywegt, Andrew Leach, Mariia Levchenko, Sarah Morgan, Ellen M McDonagh, Sandra Orchard, Irene Papatheodorou, Sameer Velankar, Juan Antonio Vizcaino, Rick Witham, Barbara Zdrazil, Johanna McEntyre

المصدر: Nucleic Acids Research. 51:D9-D17

مصطلحات موضوعية: Genetics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6d356dae14a4273b8ee38d9e26e35ca
https://doi.org/10.1093/nar/gkac1098

المؤلفون: Barbara Zdrazil (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna), Lars Richter (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna), Nathan Brown (BenevolentAI), Rajarshi Guha (Vertex Pharmaceuticals)

المصدر: Scientific Reports ; issn:2045-2322

مصطلحات موضوعية: Computational biology and bioinformatics, Diseases, Drug discovery

وصف الملف: application/pdf

Relation: isPartOf:https://phaidra.univie.ac.at/o:243553[u:scholar collection]; hdl:11353/10.1181366; https://phaidra.univie.ac.at/o:1181366

الاتاحة: https://doi.org/10.1038/s41598-020-77033-x
https://phaidra.univie.ac.at/o:1181366

المؤلفون: Alzbeta Tuerkova (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna), Barbara Zdrazil (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna)

المصدر: Journal of Cheminformatics ; issn:1758-2946

مصطلحات موضوعية: Drug repurposing, Data integration, Data mining, Data access, Application programming interface, Substructure search, Rare disease, KNIME workflow, COVID-19, SARS-CoV-2, GLUT-1 deficiency syndrome, ChEMBL, Open targets platform, DrugBank, PDB, UniProtKB, Guide-to-pharmacology, PubChem

وصف الملف: application/pdf

Relation: isPartOf:https://phaidra.univie.ac.at/o:243553[u:scholar collection]; hdl:11353/10.1192419; https://phaidra.univie.ac.at/o:1192419

الاتاحة: https://doi.org/10.1186/s13321-020-00474-z
https://phaidra.univie.ac.at/o:1192419

المؤلفون: Erzsébet Mernyák, Csilla Özvegy-Laczka, Gergely Szakács, Réka Laczkó-Rigó, Alzbeta Tuerkova, Barbara Zdrazil, Orsolya Ungvári

المصدر: Journal of Chemical Information and Modeling

مصطلحات موضوعية: General Chemical Engineering, In silico, medicine.medical_treatment, Organic Anion Transporters, Computational biology, Library and Information Sciences, 01 natural sciences, Article, Steroid, Protein structure, 0103 physical sciences, medicine, Humans, Drug Interactions, 010304 chemical physics, Liver-Specific Organic Anion Transporter 1, Chemistry, Drug discovery, Biological Transport, Transporter, General Chemistry, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Liver, Models, Chemical, Docking (molecular), Hepatocytes, Protein folding, Peptides, Function (biology)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a46d3fde1bfd2f8241886b46753b4dd3
https://doi.org/10.1021/acs.jcim.1c00362

المؤلفون: Floriane Montanari (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna), Barbara Zdrazil (Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna)

المصدر: Molecules

مصطلحات موضوعية: transport proteins, computational modeling, open data, data curation, machine learning, multi-label classification, applicability domain

وصف الملف: application/pdf

Relation: isPartOf:https://phaidra.univie.ac.at/o:243553[u:scholar collection]; hdl:11353/10.894614; https://phaidra.univie.ac.at/o:894614

الاتاحة: https://doi.org/10.3390/molecules22030422
https://phaidra.univie.ac.at/o:894614

المؤلفون: Tina Seitz, Barbara Zdrazil, Sarah Römer, Jürgen Brockmöller, Stefan Oswald, Christoph Wenzel, Jochen Gaedcke, Mladen V. Tzvetkov, Alzbeta Tuerkova, Marleen Julia Meyer

المصدر: Drug Metabolism and Disposition. 48:1380-1392

مصطلحات موضوعية: Male, Protein Conformation, alpha-Helical, Recombinant Fusion Proteins, Drug Evaluation, Preclinical, Pharmaceutical Science, Pharmacology, 030226 pharmacology & pharmacy, Mice, Structure-Activity Relationship, 03 medical and health sciences, 0302 clinical medicine, Species Specificity, Pharmacokinetics, medicine, Animals, Humans, Thiamine, Organic cation transport proteins, Sequence Homology, Amino Acid, biology, Chemistry, HEK 293 cells, Organic Cation Transporter 1, Transporter, Transfection, Metformin, Recombinant Proteins, Rats, 3. Good health, Transmembrane domain, HEK293 Cells, Liver, 030220 oncology & carcinogenesis, Hepatocytes, biology.protein, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de2f849b1f125a11656d2269d6826b5f
https://doi.org/10.1124/dmd.120.000170