prof. dr hab. Andrzej Bojarski

prof. dr hab. Andrzej Bojarski

+48 12 6623365
pokój 325
Zakład Chemii Leków

Dokonania naukowe

  • Publikacje

Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations

Autorzy: Kurczab, R., Śliwa, P., Rataj, K., Kafel, R., Bojarski, A.J.

DOI: 10.1021/acs.jcim.8b00266
Date: 2018-01-01

GPCRdb: an information system for G protein-coupled receptors (vol 44, pg D356, 2016)

Autorzy: Isberg, Vignir, Mordalski, Stefan, Munk, Christian, Rataj, Krzysztof, Harpsoe, Kasper, Hauser, Alexander S., Vroling, Bas, Bojarski, Andrzej J., Vriend, Gert, Gloriam, David E.

DOI: 10.1093/NAR/GKW1218
Date: 2017-01-01

The computer-aided discovery of novel family of the 5-HT<inf>6</inf> serotonin receptor ligands among derivatives of 4-benzyl-1,3,5-triazine

Autorzy: Łażewska, D., Kurczab, R., Więcek, M., Kamińska, K., Satała, G., Jastrzębska-Więsek, M., Partyka, A., Bojarski, A.J., Wesołowska, A., Kieć-Kononowicz, K., Handzlik, J.

DOI: 10.1016/j.ejmech.2017.04.033
Date: 2017-01-01

Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization

Autorzy: Podlewska, S., Czarnecki, W.M., Kafel, R., Bojarski, A.J.

DOI: 10.1021/acs.jcim.6b00426
Date: 2017-01-01

From Homology Models to a Set of Predictive Binding Pockets-a 5-HT<inf>1A</inf>Receptor Case Study

Autorzy: Warszycki, D., Rueda, M., Mordalski, S., Kristiansen, K., Satała, G., Rataj, K., Chilmonczyk, Z., Sylte, I., Abagyan, R., Bojarski, A.J.

DOI: 10.1021/acs.jcim.6b00263
Date: 2017-01-01

In the search for a lead structure among series of potent and selective hydantoin 5-HT<inf>7</inf>R agents: The drug-likeness in vitro study

Autorzy: Latacz, G., Lubelska, A., Jastrzębska-Więsek, M., Partyka, A., Sobiło, A., Olejarz, A., Kucwaj-Brysz, K., Satała, G., Bojarski, A.J., Wesołowska, A., Kieć-Kononowicz, K., Handzlik, J.

DOI: 10.1111/cbdd.13106
Date: 2017-01-01

Reaction mechanism of sterol hydroxylation by steroid C25 dehydrogenase – Homology model, reactivity and isoenzymatic diversity

Autorzy: Rugor, A., Wójcik-Augustyn, A., Niedzialkowska, E., Mordalski, S., Staroń, J., Bojarski, A., Szaleniec, M.

DOI: 10.1016/j.jinorgbio.2017.04.027
Date: 2017-01-01

The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening

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

DOI: 10.1371/journal.pone.0175410
Date: 2017-01-01

Pyrano[2,3,4-cd]indole as a Scaffold for Selective Nonbasic 5-HT<inf>6</inf>R Ligands

Autorzy: Staroń, J., Mordalski, S., Warszycki, D., Satała, G., Hogendorf, A., Bojarski, A.J.

DOI: 10.1021/acsmedchemlett.6b00482
Date: 2017-01-01

Spiro[pyrrolidine-3, 3′-oxindoles] and their indoline analogues as new 5-HT6 receptor chemotypes

Autorzy: Kelemen, Á.A., Satala, G., Bojarski, A.J., Keseru, G.M.

DOI: 10.3390/molecules22122221
Date: 2017-01-01

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