Rafał Kurczab
Rafał Kurczab
Maj Institute of Pharmacology PAS
Verified email at if-pan.krakow.pl
Cited by
Cited by
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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