Publications

Structure-activity relationships and molecular modeling studies of novel arylpiperazinylalkyl 2-benzoxazolones and 2-benzothiazolones as 5-HT(7) and 5-HT(1A) receptor ligands. Loredana Salerno, Valeria Pittalà, Maria N Modica, Maria A Siracusa, Sebastiano Intagliata, Alfredo Cagnotto, Mario Salmona, Rafał Kurczab, Andrzej J Bojarski, Giuseppe Romeo
European journal of medicinal chemistry, 10.1016/j.ejmech.2014.08.023 S0223-5234(14)00750-8
PMID:25128671
Thursday, 11 September 2014
Asymmetric clustering index in a case study of 5-HT1A receptor ligands. Marek Śmieja, Dawid Warszycki, Jacek Tabor, Andrzej J Bojarski
PloS one, 10.1371/journal.pone.0102069
PMID:25019251
Tuesday, 15 July 2014
The influence of negative training set size on machine learning-based virtual screening. Rafał Kurczab, Sabina Smusz, Andrzej J Bojarski
Journal of cheminformatics, 10.1186/1758-2946-6-32
PMID:24976867
Monday, 30 June 2014
Impact of template choice on homology model efficiency in virtual screening. Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciolek, Andrzej J Bojarski
Journal of chemical information and modeling, 10.1021/ci500001f
PMID:24813470
Monday, 23 June 2014
Solid-supported synthesis, molecular modeling, and biological activity of long-chain arylpiperazine derivatives with cyclic amino acid amide fragments as 5-HT(7) and 5-HT(1A) receptor ligands. Vittorio Canale, Paweł Guzik, Rafał Kurczab, Pascal Verdie, Grzegorz Satała, Bartłomiej Kubica, Maciej Pawłowski, Jean Martinez, Gilles Subra, Andrzej J Bojarski, Paweł Zajdel
European journal of medicinal chemistry, 10.1016/j.ejmech.2014.03.005 S0223-5234(14)00209-8
PMID:24675176
Monday, 14 April 2014
Identification of novel serotonin transporter compounds by virtual screening. Mari Gabrielsen, Rafał Kurczab, Agata Siwek, Małgorzata Wolak, Aina W Ravna, Kurt Kristiansen, Irina Kufareva, Ruben Abagyan, Gabriel Nowak, Zdzisław Chilmonczyk, Ingebrigt Sylte, Andrzej J Bojarski
Journal of chemical information and modeling, 10.1021/ci400742s
PMID:24521202
Monday, 24 March 2014
An application of machine learning methods to structural interaction fingerprints--a case study of kinase inhibitors. Jagna Witek, Sabina Smusz, Krzysztof Rataj, Stefan Mordalski, Andrzej J Bojarski
Bioorganic & medicinal chemistry letters, 10.1016/j.bmcl.2013.12.017 S0960-894X(13)01389-9
PMID:24374279
Monday, 13 January 2014
A linear combination of pharmacophore hypotheses as a new tool in search of new active compounds--an application for 5-HT1A receptor ligands. Dawid Warszycki, Stefan Mordalski, Kurt Kristiansen, Rafał Kafel, Ingebrigt Sylte, Zdzisław Chilmonczyk, Andrzej J Bojarski
PloS one, 10.1371/journal.pone.0084510
PMID:24367669
Tuesday, 24 December 2013
New strategy for receptor-based pharmacophore query construction: a case study for 5-HT₇ receptor ligands. Rafał Kurczab, Andrzej J Bojarski
Journal of chemical information and modeling, 10.1021/ci4005207
PMID:24245803
Monday, 23 December 2013
The influence of the inactives subset generation on the performance of machine learning methods. Sabina Smusz, Rafał Kurczab, Andrzej J Bojarski
Journal of cheminformatics, 10.1186/1758-2946-5-17
PMID:23561266
Tuesday, 16 April 2013