Rafał Kurczab, dr hab.

Rafał Kurczab, dr hab.

+48 12 6623301
room 326

Achievements

  • Publications

Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol

Autorzy: Gabrielsen, M., Kurczab, R., Ravna, A.W., Kufareva, I., Abagyan, R., Chilmonczyk, Z., Bojarski, A.J., Sylte, I.

DOI: 10.1016/j.ejmech.2011.09.056
Date: 2012-01-01

Synthesis, <sup>15</sup>N NMR spectra and GIAO calculated data of the seven positional isomers of <sup>15</sup>N-labeled N,N-dimethylsulfamoylquinoline

Autorzy: Marciniec, K., Maślankiewicz, A., Maślankiewicz, M.J., Kurczab, R.

DOI: 10.1016/j.molstruc.2012.01.049
Date: 2012-01-01

The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl and arylthioethyl-piperidines and pyrrolidines as a novel class of potent 5-HT<inf>7</inf> receptor antagonists

Autorzy: Zajdel, P., Kurczab, R., Grychowska, K., Satała, G., Pawłowski, M., Bojarski, A.J.

DOI: 10.1016/j.ejmech.2012.07.043
Date: 2012-01-01

Evaluation of different machine learning methods for ligand-based virtual screening

Autorzy: Kurczab, R., Smusz, S., Bojarski, A.J.

DOI: 10.1186/1758-2946-3-S1-P41
Date: 2011-01-01

Theoretical and spectroscopic studies of vibrational spectra of hydrogen bonds in molecular crystal of β-oxalic acid

Autorzy: Boczar, M., Kurczab, R., Wójcik, M.J.

DOI: 10.1016/j.vibspec.2009.10.002
Date: 2010-01-01

Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals for chemical valence (ETS-NOCV)

Autorzy: Mitoraj, M.P., Kurczab, R., Boczar, M., Michalak, A.

DOI: 10.1007/s00894-010-0740-6
Date: 2010-01-01

Theoretical analysis of the resonance assisted hydrogen bond based on the combined extended transition state method and natural orbitals for chemical valence scheme

Autorzy: Kurczab, R., Mitoraj, M.P., Michalak, A., Ziegler, T.

DOI: 10.1021/jp911405e
Date: 2010-01-01

The development and validation of a novel virtual screening cascade protocol to identify potential serotonin 5-HT<inf>7</inf>R antagonists

Autorzy: Kurczab, R., Nowak, M., Chilmonczyk, Z., Sylte, I., Bojarski, A.J.

DOI: 10.1016/j.bmcl.2010.03.012
Date: 2010-01-01

See also