Horvath D - Search Results

1

Computational Approaches to the Rational Design of Tubulin-Targeting Agents.

Pérez-Peña H, Abel AC, Shevelev M, Prota AE, Pieraccini S, Horvath D. Pérez-Peña H, et al. Among authors: horvath d. Biomolecules. 2023 Feb 2;13(2):285. doi: 10.3390/biom13020285. Biomolecules. 2023. PMID: 36830654 Free PMC article. Review.

2

Fragment-based drug design: computational & experimental state of the art.

Hoffer L, Renaud JP, Horvath D. Hoffer L, et al. Among authors: horvath d. Comb Chem High Throughput Screen. 2011 Jul;14(6):500-20. doi: 10.2174/138620711795767884. Comb Chem High Throughput Screen. 2011. PMID: 21521152 Review.

3

Specific Targeting of Plant and Apicomplexa Parasite Tubulin through Differential Screening Using In Silico and Assay-Based Approaches.

Soleilhac E, Brillet-Guéguen L, Roussel V, Prudent R, Touquet B, Dass S, Aci-Sèche S, Kasam V, Barette C, Imberty A, Breton V, Vantard M, Horvath D, Botté C, Tardieux I, Roy S, Maréchal E, Lafanechère L. Soleilhac E, et al. Among authors: horvath d. Int J Mol Sci. 2018 Oct 9;19(10):3085. doi: 10.3390/ijms19103085. Int J Mol Sci. 2018. PMID: 30304836 Free PMC article.

4

S4MPLE--sampler for multiple protein-ligand entities: simultaneous docking of several entities.

Hoffer L, Horvath D. Hoffer L, et al. Among authors: horvath d. J Chem Inf Model. 2013 Jan 28;53(1):88-102. doi: 10.1021/ci300495r. Epub 2012 Dec 24. J Chem Inf Model. 2013. PMID: 23215156

5

Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds.

Sidorov P, Gaspar H, Marcou G, Varnek A, Horvath D. Sidorov P, et al. Among authors: horvath d. J Comput Aided Mol Des. 2015 Dec;29(12):1087-108. doi: 10.1007/s10822-015-9882-z. Epub 2015 Nov 12. J Comput Aided Mol Des. 2015. PMID: 26564142

6

Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery.

Zabolotna Y, Bonachera F, Horvath D, Lin A, Marcou G, Klimchuk O, Varnek A. Zabolotna Y, et al. Among authors: horvath d. J Chem Inf Model. 2022 Sep 26;62(18):4537-4548. doi: 10.1021/acs.jcim.2c00509. Epub 2022 Sep 14. J Chem Inf Model. 2022. PMID: 36103300

7

In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.

Hoffer L, Renaud JP, Horvath D. Hoffer L, et al. Among authors: horvath d. J Chem Inf Model. 2013 Apr 22;53(4):836-51. doi: 10.1021/ci4000163. Epub 2013 Apr 11. J Chem Inf Model. 2013. PMID: 23537132

8

"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of Geometry.

Horvath D, Marcou G, Varnek A. Horvath D, et al. J Chem Inf Model. 2020 Jun 22;60(6):2951-2965. doi: 10.1021/acs.jcim.9b01172. Epub 2020 May 19. J Chem Inf Model. 2020. PMID: 32374171

9

Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case.

Pikalyova R, Zabolotna Y, Horvath D, Marcou G, Varnek A. Pikalyova R, et al. Among authors: horvath d. J Chem Inf Model. 2023 Jul 10;63(13):4042-4055. doi: 10.1021/acs.jcim.3c00520. Epub 2023 Jun 27. J Chem Inf Model. 2023. PMID: 37368824

10

Design of a general-purpose European compound screening library for EU-OPENSCREEN.

Horvath D, Lisurek M, Rupp B, Kühne R, Specker E, von Kries J, Rognan D, Andersson CD, Almqvist F, Elofsson M, Enqvist PA, Gustavsson AL, Remez N, Mestres J, Marcou G, Varnek A, Hibert M, Quintana J, Frank R. Horvath D, et al. ChemMedChem. 2014 Oct;9(10):2309-26. doi: 10.1002/cmdc.201402126. Epub 2014 Jul 15. ChemMedChem. 2014. PMID: 25044981

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