Rafał Kurczab
Rafał Kurczab
Institute of Pharmacology PAS
Verified email at if-pan.krakow.pl
TitleCited byYear
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
742010
The influence of negative training set size on machine learning-based virtual screening
R Kurczab, S Smusz, AJ Bojarski
Journal of cheminformatics 6 (1), 32, 2014
322014
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
322014
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
322010
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
312012
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), 17, 2013
262013
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
252014
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
252012
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
232013
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
222014
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
212017
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
192016
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
172010
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
162013
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
142015
Towards novel 5-HT7versus 5-HT1A receptor ligands among LCAPs with cyclic amino acid amide fragments: Design, synthesis, and antidepressant properties. Part II
V Canale, R Kurczab, A Partyka, G Satała, J Witek, M Jastrzębska-Więsek, ...
European journal of medicinal chemistry 92, 202-211, 2015
142015
Theoretical and spectroscopic studies of vibrational spectra of hydrogen bonds in molecular crystal of β-oxalic acid
M Boczar, R Kurczab, MJ Wójcik
Vibrational Spectroscopy 52 (1), 39-47, 2010
132010
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
112016
Arylsulfonamide derivatives of (aryloxy) ethylpiperidines as selective 5-HT 7 receptor antagonists and their psychotropic properties
P Zajdel, V Canale, A Partyka, K Marciniec, R Kurczab, G Satała, A Siwek, ...
MedChemComm 6 (7), 1272-1277, 2015
102015
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
92017
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