Martiny VY - Search Results

1

Advances in molecular modeling of human cytochrome P450 polymorphism.

Martiny VY, Miteva MA. Martiny VY, et al. J Mol Biol. 2013 Nov 1;425(21):3978-92. doi: 10.1016/j.jmb.2013.07.010. Epub 2013 Jul 13. J Mol Biol. 2013. PMID: 23856621 Review.

2

Toward in silico structure-based ADMET prediction in drug discovery.

Moroy G, Martiny VY, Vayer P, Villoutreix BO, Miteva MA. Moroy G, et al. Among authors: martiny vy. Drug Discov Today. 2012 Jan;17(1-2):44-55. doi: 10.1016/j.drudis.2011.10.023. Epub 2011 Oct 29. Drug Discov Today. 2012. PMID: 22056716 Review.

3

Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6.

Martiny VY, Carbonell P, Chevillard F, Moroy G, Nicot AB, Vayer P, Villoutreix BO, Miteva MA. Martiny VY, et al. Bioinformatics. 2015 Dec 15;31(24):3930-7. doi: 10.1093/bioinformatics/btv486. Epub 2015 Aug 26. Bioinformatics. 2015. PMID: 26315915

4

Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approach.

Zhang Z, Martiny V, Lagorce D, Ikeguchi Y, Alexov E, Miteva MA. Zhang Z, et al. PLoS One. 2014 Oct 23;9(10):e110884. doi: 10.1371/journal.pone.0110884. eCollection 2014. PLoS One. 2014. PMID: 25340632 Free PMC article.

5

In silico mechanistic profiling to probe small molecule binding to sulfotransferases.

Martiny VY, Carbonell P, Lagorce D, Villoutreix BO, Moroy G, Miteva MA. Martiny VY, et al. PLoS One. 2013 Sep 6;8(9):e73587. doi: 10.1371/journal.pone.0073587. eCollection 2013. PLoS One. 2013. PMID: 24039991 Free PMC article.

6

Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl-like molecules binding.

Isvoran A, Craciun D, Martiny V, Sperandio O, Miteva MA. Isvoran A, et al. BMC Pharmacol Toxicol. 2013 Jun 14;14:31. doi: 10.1186/2050-6511-14-31. BMC Pharmacol Toxicol. 2013. PMID: 23768251 Free PMC article.

7

Shape-Based Descriptors for Efficient Structure-Based Fragment Growing.

Penner P, Martiny V, Gohier A, Gastreich M, Ducrot P, Brown D, Rarey M. Penner P, et al. J Chem Inf Model. 2020 Dec 28;60(12):6269-6281. doi: 10.1021/acs.jcim.0c00920. Epub 2020 Nov 16. J Chem Inf Model. 2020. PMID: 33196169

8

Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets.

Selwa E, Martiny VY, Iorga BI. Selwa E, et al. Among authors: martiny vy. J Comput Aided Mol Des. 2016 Sep;30(9):829-839. doi: 10.1007/s10822-016-9983-3. Epub 2016 Oct 3. J Comput Aided Mol Des. 2016. PMID: 27699554

9

Blind Pose Prediction, Scoring, and Affinity Ranking of the CSAR 2014 Dataset.

Martiny VY, Martz F, Selwa E, Iorga BI. Martiny VY, et al. J Chem Inf Model. 2016 Jun 27;56(6):996-1003. doi: 10.1021/acs.jcim.5b00337. Epub 2015 Oct 1. J Chem Inf Model. 2016. PMID: 26391724 Free article.

10

FastGrow: on-the-fly growing and its application to DYRK1A.

Penner P, Martiny V, Bellmann L, Flachsenberg F, Gastreich M, Theret I, Meyer C, Rarey M. Penner P, et al. J Comput Aided Mol Des. 2022 Sep;36(9):639-651. doi: 10.1007/s10822-022-00469-y. Epub 2022 Aug 22. J Comput Aided Mol Des. 2022. PMID: 35989379 Free PMC article.

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