Lista de obras - Barbara Zdrazil - Dominio Público Uruguay

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

artículo científico publicado en 2016

A binding mode hypothesis of tiagabine confirms liothyronine effect on γ-aminobutyric acid transporter 1 (GAT1)

artículo científico publicado en 2015

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

scientific article published on 25 November 2020

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

artículo científico publicado en 2023

Adverse outcome pathways: opportunities, limitations and open questions

artículo científico publicado en 2017

Annotating Human P-Glycoprotein Bioassay Data

artículo científico publicado en 2012

Antitumor effects of guanosine-analog phosphonates identified by molecular modelling

artículo científico publicado en 2010

Artificial intelligence for natural product drug discovery ⬇️

scientific article from 2023

Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling

artículo científico publicado en 2013

Combining <i>In Vivo</i> Data with <i>In Silico</i> Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction

artículo científico publicado en 2020

Current Advances in Studying Clinically Relevant Transporters of the Solute Carrier (SLC) Family by Connecting Computational Modeling and Data Science

artículo científico publicado en 2019

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

artículo científico publicado en 2021

Differences in metformin and thiamine uptake between human and mouse organic cation transporter OCT1: structural determinants and potential consequences for intrahepatic concentrations

artículo científico publicado en 2020

Diversifying cheminformatics

artículo científico publicado en 2022

ELIXIR and Toxicology: a community in development

artículo científico publicado en 2023

Empowering pharmacoinformatics by linked life science data

artículo científico publicado en 2016

Exploiting open data: a new era in pharmacoinformatics

artículo científico publicado en 2014

From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter

artículo científico publicado en 2016

How Open Data Shapes In Silico Transporter Modeling

artículo científico publicado en 2017

Human polymerase alpha inhibitors for skin tumors. Part 2. Modeling, synthesis and influence on normal and transformed keratinocytes of new thymidine and purine derivatives

artículo científico publicado en 2010

Identification of anticancer OATP2B1 substrates by an in vitro triple-fluorescence-based cytotoxicity screen

artículo científico publicado en 2019

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

artículo científico publicado en 2022

Improving reproducibility and reusability in the Journal of Cheminformatics

artículo científico publicado en 2023

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

artículo científico publicado en 2012

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

artículo científico publicado en 2018

Molecular modelling studies of new potential human DNA polymerase α inhibitors

artículo científico publicado en 2010

Moving targets in drug discovery

scientific article published on 19 November 2020

Mutations in the amino-terminus impair amphetamine-induced efflux by inducing inward-facing conformations of the serotonin transporter

scholarly article by Sonja Sucic et al published 2009 in BMC Pharmacology

Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns.

artículo científico publicado en 2016

Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1

scientific article published on 04 November 2019

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

artículo científico publicado en 2013

Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling

artículo científico publicado en 2013

Reply to “FAIR chemical structure in the Journal of Cheminformatics”

Scientific competency questions as the basis for semantically enriched open pharmacological space development

artículo científico publicado en 2013

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

artículo científico publicado en 2016

Similarity-Based Descriptors (SIBAR) as Tool for QSAR Studies on P-Glycoprotein Inhibitors: Influence of the Reference Set

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

artículo científico publicado en 2005

Structural dissection of 13-epiestrones based on the interaction with human Organic anion-transporting polypeptide, OATP2B1

scientific article published on 06 March 2020

Taking Open Innovation to the Molecular Level - Strengths and Limitations ⬇️

artículo científico publicado en 2012

The N terminus of monoamine transporters is a lever required for the action of amphetamines

artículo científico publicado en 2010

The Rise and Fall of a Scaffold: A Trend Analysis of Scaffolds in the Medicinal Chemistry Literature

artículo científico publicado en 2017

The application of the open pharmacological concepts triple store (Open PHACTS) to support drug discovery research

artículo científico publicado en 2014

Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project

artículo científico publicado en 2019

Transporter assays and assay ontologies: useful tools for drug discovery

artículo científico publicado en 2014

What is the role of cheminformatics in a pandemic?

artículo científico publicado en 2021

Lista de obras de Barbara Zdrazil

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

A binding mode hypothesis of tiagabine confirms liothyronine effect on γ-aminobutyric acid transporter 1 (GAT1)

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

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

Adverse outcome pathways: opportunities, limitations and open questions

Annotating Human P-Glycoprotein Bioassay Data

Antitumor effects of guanosine-analog phosphonates identified by molecular modelling

Artificial intelligence for natural product drug discovery ⬇️

Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling

Combining <i>In Vivo</i> Data with <i>In Silico</i> Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction

Current Advances in Studying Clinically Relevant Transporters of the Solute Carrier (SLC) Family by Connecting Computational Modeling and Data Science

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

Differences in metformin and thiamine uptake between human and mouse organic cation transporter OCT1: structural determinants and potential consequences for intrahepatic concentrations

Diversifying cheminformatics

ELIXIR and Toxicology: a community in development

ELIXIR and Toxicology: a community in development

Empowering pharmacoinformatics by linked life science data

Exploiting open data: a new era in pharmacoinformatics

From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter

How Open Data Shapes In Silico Transporter Modeling

Human polymerase alpha inhibitors for skin tumors. Part 2. Modeling, synthesis and influence on normal and transformed keratinocytes of new thymidine and purine derivatives

Identification of anticancer OATP2B1 substrates by an in vitro triple-fluorescence-based cytotoxicity screen

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

Improving reproducibility and reusability in the Journal of Cheminformatics

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

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

Molecular modelling studies of new potential human DNA polymerase α inhibitors

Moving targets in drug discovery

Mutations in the amino-terminus impair amphetamine-induced efflux by inducing inward-facing conformations of the serotonin transporter

Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns.

Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1

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

Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling

Reply to “FAIR chemical structure in the Journal of Cheminformatics”

Scientific competency questions as the basis for semantically enriched open pharmacological space development

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

Similarity-Based Descriptors (SIBAR) as Tool for QSAR Studies on P-Glycoprotein Inhibitors: Influence of the Reference Set

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

Structural dissection of 13-epiestrones based on the interaction with human Organic anion-transporting polypeptide, OATP2B1

Taking Open Innovation to the Molecular Level - Strengths and Limitations ⬇️

The N terminus of monoamine transporters is a lever required for the action of amphetamines

The Rise and Fall of a Scaffold: A Trend Analysis of Scaffolds in the Medicinal Chemistry Literature

The application of the open pharmacological concepts triple store (Open PHACTS) to support drug discovery research

Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project

Transporter assays and assay ontologies: useful tools for drug discovery

What is the role of cheminformatics in a pandemic?