Rataj K - Search Results

1

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: rataj k. 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

2

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: rataj k. 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

3

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. 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

4

From Homology Models to a Set of Predictive Binding Pockets-a 5-HT_1A Receptor Case Study.

Warszycki D, Rueda M, Mordalski S, Kristiansen K, Satała G, Rataj K, Chilmonczyk Z, Sylte I, Abagyan R, Bojarski AJ. Warszycki D, et al. Among authors: rataj k. J Chem Inf Model. 2017 Feb 27;57(2):311-321. doi: 10.1021/acs.jcim.6b00263. Epub 2017 Jan 18. J Chem Inf Model. 2017. PMID: 28055203 Free PMC article.

5

Fingerprint-Based Machine Learning Approach to Identify Potent and Selective 5-HT_2BR Ligands.

Rataj K, Kelemen ÁA, Brea J, Loza MI, Bojarski AJ, Keserű GM. Rataj K, et al. Molecules. 2018 May 10;23(5):1137. doi: 10.3390/molecules23051137. Molecules. 2018. PMID: 29748476 Free PMC article.

6

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

Kurczab R, Śliwa P, Rataj K, Kafel R, Bojarski AJ. Kurczab R, et al. Among authors: rataj k. J Chem Inf Model. 2018 Nov 26;58(11):2224-2238. doi: 10.1021/acs.jcim.8b00266. Epub 2018 Oct 31. J Chem Inf Model. 2018. PMID: 30351056

7

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. Among authors: rataj k. J Cheminform. 2015 Apr 9;7:13. doi: 10.1186/s13321-015-0062-x. eCollection 2015. J Cheminform. 2015. PMID: 25949744 Free PMC article.

8

GPCRdb: an information system for G protein-coupled receptors.

Isberg V, Mordalski S, Munk C, Rataj K, Harpsøe K, Hauser AS, Vroling B, Bojarski AJ, Vriend G, Gloriam DE. Isberg V, et al. Among authors: rataj k. Nucleic Acids Res. 2016 Jan 4;44(D1):D356-64. doi: 10.1093/nar/gkv1178. Epub 2015 Nov 17. Nucleic Acids Res. 2016. PMID: 26582914 Free PMC article.

9

Substructural Connectivity Fingerprint and Extreme Entropy Machines-A New Method of Compound Representation and Analysis.

Rataj K, Czarnecki W, Podlewska S, Pocha A, Bojarski AJ. Rataj K, et al. Molecules. 2018 May 23;23(6):1242. doi: 10.3390/molecules23061242. Molecules. 2018. PMID: 29789513 Free PMC article.

10

GPCRdb: the G protein-coupled receptor database - an introduction.

Munk C, Isberg V, Mordalski S, Harpsøe K, Rataj K, Hauser AS, Kolb P, Bojarski AJ, Vriend G, Gloriam DE. Munk C, et al. Among authors: rataj k. Br J Pharmacol. 2016 Jul;173(14):2195-207. doi: 10.1111/bph.13509. Epub 2016 Jun 3. Br J Pharmacol. 2016. PMID: 27155948 Free PMC article. Review.

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