| 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 | 109 | 2010 |
| The influence of negative training set size on machine learning-based virtual screening R Kurczab, S Smusz, AJ Bojarski Journal of cheminformatics 6, 1-9, 2014 | 85 | 2014 |
| 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 | 75 | 2018 |
| 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 | 47 | 2012 |
| 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 | 45 | 2014 |
| The influence of the inactives subset generation on the performance of machine learning methods S Smusz, R Kurczab, AJ Bojarski Journal of cheminformatics 5, 1-8, 2013 | 45 | 2013 |
| 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 | 42 | 2012 |
| 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 | 40 | 2017 |
| 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 | 39 | 2016 |
| 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 | 39 | 2014 |
| 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 | 39 | 2013 |
| Virtual screening-driven discovery of dual 5-HT6/5-HT2A receptor ligands with pro-cognitive properties J Staroń, R Kurczab, D Warszycki, G Satała, M Krawczyk, R Bugno, ... European Journal of Medicinal Chemistry 185, 111857, 2020 | 36 | 2020 |
| 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 | 36 | 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 | 35 | 2018 |
| 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, 1789-1795, 2010 | 34 | 2010 |
| 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 |
| Dual 5-HT6 and D3 Receptor Antagonists in a Group of 1H-Pyrrolo[3,2-c]quinolines with Neuroprotective and Procognitive Activity K Grychowska, S Chaumont-Dubel, R Kurczab, P Koczurkiewicz, ... ACS chemical neuroscience 10 (7), 3183-3196, 2019 | 31 | 2019 |
| Design, synthesis, and biological evaluation of novel combretastatin A-4 thio derivatives as microtubule targeting agents T Stefański, R Mikstacka, R Kurczab, Z Dutkiewicz, M Kucińska, M Murias, ... European journal of medicinal chemistry 144, 797-816, 2018 | 30 | 2018 |
| The impact of the halogen bonding on D2 and 5-HT1A/5-HT7 receptor activity of azinesulfonamides of 4-[(2-ethyl) piperidinyl-1-yl] phenylpiperazines with antipsychotic and … A Partyka, R Kurczab, V Canale, G Satała, K Marciniec, A Pasierb, ... Bioorganic & Medicinal Chemistry 25 (14), 3638-3648, 2017 | 30 | 2017 |
| Fluorinated indole-imidazole conjugates: Selective orally bioavailable 5-HT7 receptor low-basicity agonists, potential neuropathic painkillers AS Hogendorf, A Hogendorf, K Popiołek-Barczyk, A Ciechanowska, ... European Journal of Medicinal Chemistry 170, 261-275, 2019 | 29 | 2019 |
Andrzej BojarskiMaj Institute of Pharmacology Polish Academy of SciencesVerified email at if-pan.krakow.pl
