Barbara Zdrazil

According to our database, Barbara Zdrazil authored at least 18 papers between 2005 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics' Scientific Contribution Statement.

Barbara Zdrazil, Rajarshi Guha, Karina Martínez-Mayorga, Nina Jeliazkova

J. Cheminformatics, December, 2024

2023

Biomedical data analyses facilitated by open cheminformatics workflows.

Eva Nittinger, Alex Clark, Anna Gaulton, Barbara Zdrazil

J. Cheminformatics, December, 2023

Improving reproducibility and reusability in the Journal of Cheminformatics.

Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, Nina Jeliazkova, Karina Martínez-Mayorga, Eva Nittinger

J. Cheminformatics, December, 2023

A look back at a pilot of the citation typing ontology.

Rajarshi Guha, Barbara Zdrazil, Nina Jeliazkova, Karina Martínez-Mayorga

J. Cheminformatics, December, 2023

School of cheminformatics in Latin America.

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

J. Cheminformatics, December, 2023

EMBL's European Bioinformatics Institute (EMBL-EBI) in 2022.

Matthew Thakur, Alex Bateman, Cath Brooksbank, Mallory Ann Freeberg, Melissa Harrison, Matthew Hartley, Thomas M. Keane, Gerard J. Kleywegt, Andrew Leach, Maria Levchenko, Sarah L. Morgan, Ellen M. McDonagh, Sandra E. Orchard, Irene Papatheodorou, Sameer Velankar, Juan Antonio Vizcaíno, Rick Witham, Barbara Zdrazil, Johanna R. McEntyre

Nucleic Acids Res., January, 2023

2022

Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening.

Alzbeta Türková, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, Gergely Szakács, Csilla Özvegy-Laczka, Gerard J. P. van Westen, Barbara Zdrazil

J. Chem. Inf. Model., 2022

Diversifying cheminformatics.

Barbara Zdrazil, Rajarshi Guha

J. Cheminformatics, 2022

2021

Data-Driven Ensemble Docking to Map Molecular Interactions of Steroid Analogs with Hepatic Organic Anion Transporting Polypeptides.

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

J. Chem. Inf. Model., 2021

What is the role of cheminformatics in a pandemic?

Rajarshi Guha, Egon L. Willighagen, Barbara Zdrazil, Nina Jeliazkova

J. Cheminformatics, 2021

Reply to "FAIR chemical structure in the Journal of Cheminformatics".

Rajarshi Guha, Nina Jeliazkova, Egon L. Willighagen, Barbara Zdrazil

J. Cheminformatics, 2021

2020

A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19.

Alzbeta Türková, Barbara Zdrazil

J. Cheminformatics, 2020

2019

Integrative Data Mining, Scaffold Analysis, and Sequential Binary Classification Models for Exploring Ligand Profiles of Hepatic Organic Anion Transporting Polypeptides.

Alzbeta Türková, Sankalp Jain, Barbara Zdrazil

J. Chem. Inf. Model., 2019

2017

Empowering pharmacoinformatics by linked life science data.

Daria Goldmann, Barbara Zdrazil, Daniela Digles, Gerhard F. Ecker

J. Comput. Aided Mol. Des., 2017

2016

Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning.

Floriane Montanari, Barbara Zdrazil, Daniela Digles, Gerhard F. Ecker

J. Cheminformatics, 2016

2013

Pairwise structural comparison of tiagabine analogs gives new insights into their protein binding modes.

Barbara Zdrazil, Andreas Jurik, Harald H. Sitte, Gerhard F. Ecker

J. Cheminformatics, 2013

2012

Insights into binding events of GABA- and Tiagabine- analogues in the Gamma-Aminobutyric Acid Transporter 1 by means of Molecular Modelling.

Barbara Zdrazil, Andreas Jurik, Regina Reicherstorfer, Thomas Stockner, Harald H. Sitte, Gerhard F. Ecker

J. Cheminformatics, 2012

2005

Similarity-based descriptors (SIBAR) - A tool for safe exchange of chemical information?

Dominik Kaiser, Barbara Zdrazil, Gerhard F. Ecker

J. Comput. Aided Mol. Des., 2005