| Theoretical analysis of the resonance assisted hydrogen bond based on the combined extended transition state method and natural orbitals for chemical valence scheme R Kurczab, MP Mitoraj, A Michalak, T Ziegler The Journal of Physical Chemistry A 114 (33), 8581-8590, 2010 | 85 | 2010 |
| The influence of negative training set size on machine learning-based virtual screening R Kurczab, S Smusz, AJ Bojarski Journal of cheminformatics 6 (1), 1-9, 2014 | 54 | 2014 |
| The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl-and arylthioethyl-piperidines and pyrrolidines as a novel … P Zajdel, R Kurczab, K Grychowska, G Satała, M Pawłowski, AJ Bojarski European journal of medicinal chemistry 56, 348-360, 2012 | 42 | 2012 |
| The influence of the inactives subset generation on the performance of machine learning methods S Smusz, R Kurczab, AJ Bojarski Journal of cheminformatics 5 (1), 1-8, 2013 | 36 | 2013 |
| Structure–activity relationships and molecular modeling studies of novel arylpiperazinylalkyl 2-benzoxazolones and 2-benzothiazolones as 5-HT7 and 5-HT1A receptor ligands L Salerno, V Pittalą, MN Modica, MA Siracusa, S Intagliata, A Cagnotto, ... European journal of medicinal chemistry 85, 716-726, 2014 | 34 | 2014 |
| Identification of novel serotonin transporter compounds by virtual screening M Gabrielsen, R Kurczab, A Siwek, M Wolak, AW Ravna, K Kristiansen, ... Journal of chemical information and modeling 54 (3), 933-943, 2014 | 34 | 2014 |
| The development and validation of a novel virtual screening cascade protocol to identify potential serotonin 5-HT7R antagonists R Kurczab, M Nowak, Z Chilmonczyk, I Sylte, AJ Bojarski Bioorganic & medicinal chemistry letters 20 (8), 2465-2468, 2010 | 33 | 2010 |
| Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol M Gabrielsen, R Kurczab, AW Ravna, I Kufareva, R Abagyan, ... European journal of medicinal chemistry 47, 24-37, 2012 | 32 | 2012 |
| A multidimensional analysis of machine learning methods performance in the classification of bioactive compounds S Smusz, R Kurczab, AJ Bojarski Chemometrics and Intelligent Laboratory Systems 128, 89-100, 2013 | 30 | 2013 |
| Towards new 5-HT7 antagonists among arylsulfonamide derivatives of (aryloxy) ethyl-alkyl amines: multiobjective based design, synthesis, and antidepressant and anxiolytic … V Canale, R Kurczab, A Partyka, G Satała, T Lenda, ... European journal of medicinal chemistry 108, 334-346, 2016 | 29 | 2016 |
| The evaluation of QM/MM-driven molecular docking combined with MM/GBSA calculations as a halogen-bond scoring strategy R Kurczab Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2017 | 28 | 2017 |
| Solid-supported synthesis, molecular modeling, and biological activity of long-chain arylpiperazine derivatives with cyclic amino acid amide fragments as 5-HT7 and 5-HT1A … V Canale, P Guzik, R Kurczab, P Verdie, G Satała, B Kubica, M Pawłowski, ... European journal of medicinal chemistry 78, 10-22, 2014 | 25 | 2014 |
| New Strategy for Receptor-Based Pharmacophore Query Construction: A Case Study for 5-HT7 Receptor Ligands R Kurczab, AJ Bojarski Journal of chemical information and modeling 53 (12), 3233-3243, 2013 | 22 | 2013 |
| Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals … MP Mitoraj, R Kurczab, M Boczar, A Michalak Journal of molecular modeling 16 (11), 1789-1795, 2010 | 22 | 2010 |
| The computer-aided discovery of novel family of the 5-HT6 serotonin receptor ligands among derivatives of 4-benzyl-1, 3, 5-triazine D Łażewska, R Kurczab, M Więcek, K Kamińska, G Satała, ... European journal of medicinal chemistry 135, 117-124, 2017 | 20 | 2017 |
| Amino Acid Hot Spots of Halogen Bonding: A Combined Theoretical and Experimental Case Study of the 5-HT7 Receptor R Kurczab, V Canale, G Satała, P Zajdel, AJ Bojarski Journal of medicinal chemistry 61 (19), 8717-8733, 2018 | 18 | 2018 |
| N-Alkylated arylsulfonamides of (aryloxy) ethyl piperidines: 5-HT7 receptor selectivity versus multireceptor profile V Canale, R Kurczab, A Partyka, G Satała, K Słoczyńska, T Kos, ... Bioorganic & medicinal chemistry 24 (2), 130-139, 2016 | 18 | 2016 |
| Salt bridge in ligand–protein complexes—systematic theoretical and statistical investigations R Kurczab, P Śliwa, K Rataj, R Kafel, AJ Bojarski Journal of chemical information and modeling 58 (11), 2224-2238, 2018 | 15 | 2018 |
| Novel 5-HT7R antagonists, arylsulfonamide derivatives of (aryloxy) propyl piperidines: add-on effect to the antidepressant activity of SSRI and DRI, and pro-cognitive profile V Canale, A Partyka, R Kurczab, M Krawczyk, T Kos, G Satała, B Kubica, ... Bioorganic & medicinal chemistry 25 (10), 2789-2799, 2017 | 15 | 2017 |
| Fingerprint-based consensus virtual screening towards structurally new 5-HT6R ligands S Smusz, R Kurczab, G Satała, AJ Bojarski Bioorganic & medicinal chemistry letters 25 (9), 1827-1830, 2015 | 15 | 2015 |
Andrzej BojarskiInstitute of Pharmacology Polish Academy of SciencesVerified email at if-pan.krakow.pl
