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ORCIDAndrzej J. Bojarski
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2020 – today
- 2021
[j24]Stefan Mordalski
, Agnieszka Wojtuch, Igor T. Podolak, Rafal Kurczab, Andrzej J. Bojarski:
2D SIFt: a matrix of ligand-receptor interactions. J. Cheminformatics 13(1): 66 (2021)- 2020
- [j23]Stanislaw Jastrzebski, Maciej Szymczak, Agnieszka Pocha, Stefan Mordalski, Jacek Tabor, Andrzej J. Bojarski, Sabina Podlewska:
Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening. J. Chem. Inf. Model. 60(9): 4246-4262 (2020)
2010 – 2019
- 2019
- [j22]Damian Lesniak, Sabina Podlewska, Stanislaw Jastrzebski, Igor Sieradzki, Andrzej J. Bojarski, Jacek Tabor:
Development of New Methods Needs Proper Evaluation - Benchmarking Sets for Machine Learning Experiments for Class A GPCRs. J. Chem. Inf. Model. 59(12): 4974-4992 (2019) - 2018
- [j21]Rafal Kurczab, Pawel Sliwa, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski:
Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations. J. Chem. Inf. Model. 58(11): 2224-2238 (2018) - [j20]Gáspár Pándy-Szekeres, Christian Munk, Tsonko M. Tsonkov, Stefan Mordalski, Kasper Harpsøe, Alexander S. Hauser, Andrzej J. Bojarski, David E. Gloriam:
GPCRdb in 2018: adding GPCR structure models and ligands. Nucleic Acids Res. 46(Database-Issue): D440-D446 (2018) - 2017
- [j19]Sabina Podlewska, Wojciech M. Czarnecki, Rafal Kafel, Andrzej J. Bojarski:
Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization. J. Chem. Inf. Model. 57(2): 133-147 (2017) - [j18]Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satala, Krzysztof Rataj, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J. Bojarski:
From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study. J. Chem. Inf. Model. 57(2): 311-321 (2017) - 2016
- [j17]Vignir Ísberg, Stefan Mordalski, Christian Munk, Krzysztof Rataj, Kasper Harpsøe, Alexander S. Hauser, Bas Vroling, Andrzej J. Bojarski, Gert Vriend, David E. Gloriam:
GPCRdb: an information system for G protein-coupled receptors. Nucleic Acids Res. 44(Database-Issue): 356-364 (2016) - 2015
- [j16]Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski:
Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study. J. Cheminformatics 7: 13 (2015) - [j15]Wojciech M. Czarnecki, Sabina Podlewska, Andrzej J. Bojarski:
Robust optimization of SVM hyperparameters in the classification of bioactive compounds. J. Cheminformatics 7: 38:1-38:15 (2015) - [j14]Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski:
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. J. Chem. Inf. Model. 55(4): 823-832 (2015) - [j13]Agata Kurczyk, Dawid Warszycki, Robert Musiol, Rafal Kafel, Andrzej J. Bojarski, Jaroslaw Polanski:
Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes. J. Chem. Inf. Model. 55(10): 2168-2177 (2015) - 2014
- [j12]Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski:
The influence of negative training set size on machine learning-based virtual screening. J. Cheminformatics 6(1): 32 (2014) - [j11]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:
Identification of Novel Serotonin Transporter Compounds by Virtual Screening. J. Chem. Inf. Model. 54(3): 933-943 (2014) - [j10]Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski:
Impact of Template Choice on Homology Model Efficiency in Virtual Screening. J. Chem. Inf. Model. 54(6): 1661-1668 (2014) - 2013
- [j9]Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski:
The importance of template choice in homology modeling. A 5-HT6R case study. J. Cheminformatics 5(S-1): 8 (2013) - [j8]Sabina Smusz, Rafal Kurczab, Andrzej J. Bojarski:
The influence of the inactives subset generation on the performance of machine learning methods. J. Cheminformatics 5: 17 (2013) - [j7]Sabina Smusz, Rafal Kurczab, Andrzej J. Bojarski:
The influence of hashed fingerprints density on the machine learning methods performance. J. Cheminformatics 5(S-1): 25 (2013) - [j6]Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski:
Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity. J. Cheminformatics 5(S-1): 28 (2013) - [j5]Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski:
The influence of training actives/inactives ratio on machine learning performance. J. Cheminformatics 5(S-1): 30 (2013) - [j4]Rafal Kurczab, Andrzej J. Bojarski:
New Strategy for Receptor-Based Pharmacophore Query Construction: A Case Study for 5-HT7 Receptor Ligands. J. Chem. Inf. Model. 53(12): 3233-3243 (2013) - 2011
- [j3]Stefan Mordalski, Tomasz Kosciólek, Aina Westrheim Ravna, Ingebrigt Sylte, Andrzej J. Bojarski:
Homology modelling of metabotropic glutamate receptor 2. J. Cheminformatics 3(S-1): 40 (2011) - [j2]Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski:
Evaluation of different machine learning methods for ligand-based virtual screening. J. Cheminformatics 3(S-1): 41 (2011) - [j1]Tomasz Kosciólek, Stefan Mordalski, Andrzej J. Bojarski:
Rapid binding site analysis by means of structural interaction fingerprint patterns - an implication to GPCR-targeted CADD. J. Cheminformatics 3(S-1): 42 (2011)
Coauthor Index
aka: Sabina Smusz
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