Andrzej J. Bojarski

According to our database, Andrzej J. Bojarski authored at least 24 papers between 2011 and 2021.

Collaborative distances:

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

2021

2D SIFt: a matrix of ligand-receptor interactions.

Stefan Mordalski, Agnieszka Wojtuch, Igor T. Podolak, Rafal Kurczab, Andrzej J. Bojarski

J. Cheminformatics, 2021

2020

Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening.

Stanislaw Jastrzebski, Maciej Szymczak, Agnieszka Pocha, Stefan Mordalski, Jacek Tabor, Andrzej J. Bojarski, Sabina Podlewska

J. Chem. Inf. Model., 2020

2019

Development of New Methods Needs Proper Evaluation - Benchmarking Sets for Machine Learning Experiments for Class A GPCRs.

Damian Lesniak, Sabina Podlewska, Stanislaw Jastrzebski, Igor Sieradzki, Andrzej J. Bojarski, Jacek Tabor

J. Chem. Inf. Model., 2019

2018

GPCRdb in 2018: adding GPCR structure models and ligands.

Gáspár Pándy-Szekeres, Christian Munk, Tsonko M. Tsonkov, Stefan Mordalski, Kasper Harpsøe, Alexander S. Hauser, Andrzej J. Bojarski, David E. Gloriam

Nucleic Acids Res., 2018

Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations.

Rafal Kurczab, Pawel Sliwa, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski

J. Chem. Inf. Model., 2018

2017

From Homology Models to a Set of Predictive Binding Pockets-a 5-HT_1A Receptor Case Study.

Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satala, Krzysztof Rataj, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J. Bojarski

J. Chem. Inf. Model., 2017

Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization.

Sabina Podlewska, Wojciech M. Czarnecki, Rafal Kafel, Andrzej J. Bojarski

J. Chem. Inf. Model., 2017

2016

GPCRdb: an information system for G protein-coupled receptors.

Vignir Ísberg, Stefan Mordalski, Christian Munk, Krzysztof Rataj, Kasper Harpsøe, Alexander S. Hauser, Bas Vroling, Andrzej J. Bojarski, Gert Vriend, David E. Gloriam

Nucleic Acids Res., 2016

2015

Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods - A Case Study of Serotonin Receptors 5-HT₆ and 5-HT₇.

Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski

J. Chem. Inf. Model., 2015

Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes.

Agata Kurczyk, Dawid Warszycki, Robert Musiol, Rafal Kafel, Andrzej J. Bojarski, Jaroslaw Polanski

J. Chem. Inf. Model., 2015

Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study.

Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski

J. Cheminformatics, 2015

Robust optimization of SVM hyperparameters in the classification of bioactive compounds.

Wojciech M. Czarnecki, Sabina Podlewska, Andrzej J. Bojarski

J. Cheminformatics, 2015

2014

Impact of Template Choice on Homology Model Efficiency in Virtual Screening.

Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski

J. Chem. Inf. Model., 2014

Identification of Novel Serotonin Transporter Compounds by Virtual Screening.

Mari Gabrielsen, Rafal Kurczab, Agata Siwek, Malgorzata Wolak, Aina Westrheim Ravna, Kurt Kristiansen, Irina Kufareva, Ruben Abagyan, Gabriel Nowak, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Andrzej J. Bojarski

J. Chem. Inf. Model., 2014

The influence of negative training set size on machine learning-based virtual screening.

Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski

J. Cheminformatics, 2014

2013

New Strategy for Receptor-Based Pharmacophore Query Construction: A Case Study for 5-HT₇ Receptor Ligands.

Rafal Kurczab, Andrzej J. Bojarski

J. Chem. Inf. Model., 2013

Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity.

Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski

J. Cheminformatics, 2013

The influence of hashed fingerprints density on the machine learning methods performance.

Sabina Smusz, Rafal Kurczab, Andrzej J. Bojarski

J. Cheminformatics, 2013

The influence of the inactives subset generation on the performance of machine learning methods.

Sabina Smusz, Rafal Kurczab, Andrzej J. Bojarski

J. Cheminformatics, 2013

The importance of template choice in homology modeling. A 5-HT₆R case study.

Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski

J. Cheminformatics, 2013

The influence of training actives/inactives ratio on machine learning performance.

Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski

J. Cheminformatics, 2013

2011

Homology modelling of metabotropic glutamate receptor 2.

Stefan Mordalski, Tomasz Kosciólek, Aina Westrheim Ravna, Ingebrigt Sylte, Andrzej J. Bojarski

J. Cheminformatics, 2011

Evaluation of different machine learning methods for ligand-based virtual screening.

Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski

J. Cheminformatics, 2011

Rapid binding site analysis by means of structural interaction fingerprint patterns - an implication to GPCR-targeted CADD.

Tomasz Kosciólek, Stefan Mordalski, Andrzej J. Bojarski

J. Cheminformatics, 2011