Mordalski S - Search Results

1

An application of machine learning methods to structural interaction fingerprints--a case study of kinase inhibitors.

Witek J, Smusz S, Rataj K, Mordalski S, Bojarski AJ. Witek J, et al. Among authors: mordalski s. Bioorg Med Chem Lett. 2014 Jan 15;24(2):580-5. doi: 10.1016/j.bmcl.2013.12.017. Epub 2013 Dec 10. Bioorg Med Chem Lett. 2014. PMID: 24374279

2

Synthesis and structural investigation of some pyrimido[5,4-c]quinolin-4(3H)-one derivatives with a long-chain arylpiperazine moiety as potent 5-HT(1A/2A) and 5-HT(7) receptor ligands.

Lewgowd W, Bojarski AJ, Szczesio M, Olczak A, Glowka ML, Mordalski S, Stanczak A. Lewgowd W, et al. Among authors: mordalski s. Eur J Med Chem. 2011 Aug;46(8):3348-61. doi: 10.1016/j.ejmech.2011.04.060. Epub 2011 May 6. Eur J Med Chem. 2011. PMID: 21601317

3

Protein binding site analysis by means of structural interaction fingerprint patterns.

Mordalski S, Kosciolek T, Kristiansen K, Sylte I, Bojarski AJ. Mordalski S, et al. Bioorg Med Chem Lett. 2011 Nov 15;21(22):6816-9. doi: 10.1016/j.bmcl.2011.09.027. Epub 2011 Sep 14. Bioorg Med Chem Lett. 2011. PMID: 21974955

4

Simulations in evolution. III. Randomness as a generator of opportunities.

Testa B, Bojarski AJ, Mordalski S. Testa B, et al. Among authors: mordalski s. Chem Biodivers. 2013 Jan;10(1):62-72. doi: 10.1002/cbdv.201200207. Chem Biodivers. 2013. PMID: 23341208

5

A linear combination of pharmacophore hypotheses as a new tool in search of new active compounds--an application for 5-HT1A receptor ligands.

Warszycki D, Mordalski S, Kristiansen K, Kafel R, Sylte I, Chilmonczyk Z, Bojarski AJ. Warszycki D, et al. Among authors: mordalski s. PLoS One. 2013 Dec 18;8(12):e84510. doi: 10.1371/journal.pone.0084510. eCollection 2013. PLoS One. 2013. PMID: 24367669 Free PMC article.

6

Impact of template choice on homology model efficiency in virtual screening.

Rataj K, Witek J, Mordalski S, Kosciolek T, Bojarski AJ. Rataj K, et al. Among authors: mordalski s. J Chem Inf Model. 2014 Jun 23;54(6):1661-8. doi: 10.1021/ci500001f. Epub 2014 May 21. J Chem Inf Model. 2014. PMID: 24813470

7

A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors.

Fidom K, Isberg V, Hauser AS, Mordalski S, Lehto T, Bojarski AJ, Gloriam DE. Fidom K, et al. Among authors: mordalski s. Methods. 2015 Jan;71:104-12. doi: 10.1016/j.ymeth.2014.09.009. Epub 2014 Oct 5. Methods. 2015. PMID: 25286328

8

Bioisosteric matrices for ligands of serotonin receptors.

Warszycki D, Mordalski S, Staroń J, Bojarski AJ. Warszycki D, et al. Among authors: mordalski s. ChemMedChem. 2015 Apr;10(4):601-5. doi: 10.1002/cmdc.201402563. Epub 2015 Mar 13. ChemMedChem. 2015. PMID: 25772514 Free PMC article.

9

Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods--A Case Study of Serotonin Receptors 5-HT(6) and 5-HT(7).

Smusz S, Mordalski S, Witek J, Rataj K, Kafel R, Bojarski AJ. Smusz S, et al. Among authors: mordalski s. J Chem Inf Model. 2015 Apr 27;55(4):823-32. doi: 10.1021/ci500564b. Epub 2015 Apr 8. J Chem Inf Model. 2015. PMID: 25806997

10

Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study.

Mordalski S, Witek J, Smusz S, Rataj K, Bojarski AJ. Mordalski S, et al. J Cheminform. 2015 Apr 9;7:13. doi: 10.1186/s13321-015-0062-x. eCollection 2015. J Cheminform. 2015. PMID: 25949744 Free PMC article.

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