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Rafał Kurczab
Rafał Kurczab
Maj Institute of Pharmacology PAS
Verified email at if-pan.krakow.pl
Title
Cited by
Cited by
Year
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
1052010
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
812014
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
682018
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
472012
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
452013
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
422014
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
422012
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
392014
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
382017
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
382016
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
382013
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
362017
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
332018
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
332010
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
322020
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
322010
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
312019
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
292018
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
292017
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
272019
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