Publications

Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization. Sabina Podlewska, Wojciech M Czarnecki, Rafał Kafel, Andrzej J Bojarski
Journal of chemical information and modeling, 10.1021/acs.jcim.6b00426
PMID:28158942
Wednesday, 15 February 2017
Practical application of the Average Information Content Maximization (AIC-MAX) algorithm: selection of the most important structural features for serotonin receptor ligands. Dawid Warszycki, Marek Śmieja, Rafał Kafel
Molecular diversity, 10.1007/s11030-017-9729-8
PMID:28185036
Friday, 10 February 2017
From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study. Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satała, Krzysztof Rataj, Zdzisław Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J Bojarski
Journal of chemical information and modeling, 10.1021/acs.jcim.6b00263
PMID:28055203
Thursday, 5 January 2017
New N- and O-arylpiperazinylalkyl pyrimidines and 2-methylquinazolines derivatives as 5-HT7 and 5-HT1A receptor ligands: Synthesis, structure-activity relationships, and molecular modeling studies. Sebastiano Intagliata, Maria N Modica, Valeria Pittalà, Loredana Salerno, Maria A Siracusa, Alfredo Cagnotto, Mario Salmona, Rafał Kurczab, Giuseppe Romeo
Bioorganic & medicinal chemistry, S0968-0896(16)31494-8 10.1016/j.bmc.2016.12.039
PMID:28063784
Tuesday, 27 December 2016
GPCRdb: an information system for G protein-coupled receptors. Vignir Isberg, Stefan Mordalski, Christian Munk, Krzysztof Rataj, Kasper Harpsøe, Alexander S Hauser, Bas Vroling, Andrzej J Bojarski, Gert Vriend, David E Gloriam
Nucleic acids research, 10.1093/nar/gkw1218
PMID:27923934
Wednesday, 7 December 2016
Quo vadis G protein-coupled receptor ligands? A tool for analysis of the emergence of new groups of compounds over time. Damian Leśniak, Stanisław Jastrzębski, Sabina Podlewska, Wojciech M Czarnecki, Andrzej J Bojarski
Bioorganic & medicinal chemistry letters, S0960-894X(16)31268-9 10.1016/j.bmcl.2016.12.001
PMID:27993519
Friday, 2 December 2016
Regioselective hydroxylation of cholecalciferol, cholesterol and other sterol derivatives by steroid C25 dehydrogenase. A Rugor, M Tataruch, J Staroń, A Dudzik, E Niedzialkowska, P Nowak, A Hogendorf, A Michalik-Zym, D B Napruszewska, A Jarzębski, K Szymańska, W Białas, M Szaleniec
Applied microbiology and biotechnology, 10.1007/s00253-016-7880-2
PMID:27726023
Tuesday, 11 October 2016
Straightforward synthesis of 2,4,6-trisubstituted 1,3,5-triazine compounds targeting cysteine cathepsins K and S. Elżbieta Plebanek, Florian Chevrier, Vincent Roy, Thibault Garenne, Fabien Lecaille, Dawid Warszycki, Andrzej J Bojarski, Gilles Lalmanach, Luigi A Agrofoglio
European journal of medicinal chemistry, 10.1016/j.ejmech.2016.05.009 S0223-5234(16)30386-5
PMID:27214508
Monday, 15 August 2016
Encapsulation of curcumin in polyelectrolyte nanocapsules and their neuroprotective activity. Krzysztof Szczepanowicz, Danuta Jantas, Marek Piotrowski, Jakub Staroń, Monika Leśkiewicz, Magdalena Regulska, Władysław Lasoń, Piotr Warszyński
Nanotechnology, 10.1088/0957-4484/27/35/355101
PMID:27454207
Monday, 25 July 2016
GPCRdb: the G protein-coupled receptor database - an introduction. C Munk, V Isberg, S Mordalski, K Harpsøe, K Rataj, A S Hauser, P Kolb, A J Bojarski, G Vriend, D E Gloriam
British journal of pharmacology, 10.1111/bph.13509
PMID:27155948
Friday, 24 June 2016