Mortier J - Search Results

1

Identification of PPARγ Agonists from Natural Sources Using Different In Silico Approaches.

El-Houri RB, Mortier J, Murgueitio MS, Wolber G, Christensen LP. El-Houri RB, et al. Among authors: mortier j. Planta Med. 2015 Apr;81(6):488-94. doi: 10.1055/s-0034-1383119. Epub 2014 Sep 24. Planta Med. 2015. PMID: 25251562 Review.

2

Computational tools for in silico fragment-based drug design.

Mortier J, Rakers C, Frederick R, Wolber G. Mortier J, et al. Curr Top Med Chem. 2012;12(17):1935-43. doi: 10.2174/156802612804547371. Curr Top Med Chem. 2012. PMID: 23116473 Review.

3

In silico virtual screening approaches for anti-viral drug discovery.

Murgueitio MS, Bermudez M, Mortier J, Wolber G. Murgueitio MS, et al. Among authors: mortier j. Drug Discov Today Technol. 2012 Autumn;9(3):e219-25. doi: 10.1016/j.ddtec.2012.07.009. Drug Discov Today Technol. 2012. PMID: 24990575 Free PMC article.

4

The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes.

Mortier J, Rakers C, Bermudez M, Murgueitio MS, Riniker S, Wolber G. Mortier J, et al. Drug Discov Today. 2015 Jun;20(6):686-702. doi: 10.1016/j.drudis.2015.01.003. Epub 2015 Jan 20. Drug Discov Today. 2015. PMID: 25615716 Review.

5

More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations.

Bermudez M, Mortier J, Rakers C, Sydow D, Wolber G. Bermudez M, et al. Among authors: mortier j. Drug Discov Today. 2016 Nov;21(11):1799-1805. doi: 10.1016/j.drudis.2016.07.001. Epub 2016 Jul 11. Drug Discov Today. 2016. PMID: 27417339 Review.

6

An unusual interstrand H-bond stabilizes the heteroassembly of helical αβγ-chimeras with natural peptides.

Nyakatura EK, Rezaei Araghi R, Mortier J, Wieczorek S, Baldauf C, Wolber G, Koksch B. Nyakatura EK, et al. Among authors: mortier j. ACS Chem Biol. 2014 Mar 21;9(3):613-6. doi: 10.1021/cb4007979. Epub 2014 Jan 10. ACS Chem Biol. 2014. PMID: 24341921

7

From carbohydrates to drug-like fragments: Rational development of novel α-amylase inhibitors.

Al-Asri J, Fazekas E, Lehoczki G, Perdih A, Görick C, Melzig MF, Gyémánt G, Wolber G, Mortier J. Al-Asri J, et al. Among authors: mortier j. Bioorg Med Chem. 2015 Oct 15;23(20):6725-32. doi: 10.1016/j.bmc.2015.09.007. Epub 2015 Sep 8. Bioorg Med Chem. 2015. PMID: 26395057

8

Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin.

Asante V, Mortier J, Wolber G, Koksch B. Asante V, et al. Among authors: mortier j. Amino Acids. 2014 Dec;46(12):2733-44. doi: 10.1007/s00726-014-1819-7. Epub 2014 Sep 6. Amino Acids. 2014. PMID: 25193166

9

Synthesis, biological activity and structure-activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells.

Ottanà R, Maccari R, Mortier J, Caselli A, Amuso S, Camici G, Rotondo A, Wolber G, Paoli P. Ottanà R, et al. Among authors: mortier j. Eur J Med Chem. 2014 Jan;71:112-27. doi: 10.1016/j.ejmech.2013.11.001. Epub 2013 Nov 11. Eur J Med Chem. 2014. PMID: 24287560

10

Balancing selectivity vs stability using molecular dynamics and umbrella sampling.

Mortier J, Nyakatura EK, Miettinen M, Baldauf C, Wolber G, Koksch B. Mortier J, et al. J Cheminform. 2014 Mar 11;6(Suppl 1):O22. doi: 10.1186/1758-2946-6-S1-O22. eCollection 2014 Mar. J Cheminform. 2014. PMID: 24765121 Free PMC article. No abstract available.

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