Stylianakis I - Search Results

1

A Study of the Activity of Adamantyl Amines against Mutant Influenza A M2 Channels Identified a Polycyclic Cage Amine Triple Blocker, Explored by Molecular Dynamics Simulations and Solid-State NMR.

Stampolaki Μ, Hoffmann A, Tekwani K, Georgiou K, Tzitzoglaki C, Ma C, Becker S, Schmerer P, Döring K, Stylianakis I, Turcu AL, Wang J, Vázquez S, Andreas LB, Schmidtke M, Kolocouris A. Stampolaki Μ, et al. Among authors: stylianakis i. ChemMedChem. 2023 Aug 15;18(16):e202300182. doi: 10.1002/cmdc.202300182. Epub 2023 Jul 25. ChemMedChem. 2023. PMID: 37377066

2

Binding and Proton Blockage by Amantadine Variants of the Influenza M2_WT and M2_S31N Explained.

Tzitzoglaki C, Wright A, Freudenberger K, Hoffmann A, Tietjen I, Stylianakis I, Kolarov F, Fedida D, Schmidtke M, Gauglitz G, Cross TA, Kolocouris A. Tzitzoglaki C, et al. Among authors: stylianakis i. J Med Chem. 2017 Mar 9;60(5):1716-1733. doi: 10.1021/acs.jmedchem.6b01115. Epub 2017 Feb 15. J Med Chem. 2017. PMID: 28107633 Free PMC article.

3

Study of SQ109 analogs binding to mycobacterium MmpL3 transporter using MD simulations and alchemical relative binding free energy calculations.

Stampolaki M, Stylianakis I, Zgurskaya HI, Kolocouris A. Stampolaki M, et al. Among authors: stylianakis i. J Comput Aided Mol Des. 2023 Jun;37(5-6):245-264. doi: 10.1007/s10822-023-00504-6. Epub 2023 May 2. J Comput Aided Mol Des. 2023. PMID: 37129848 Free PMC article.

4

Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.

Stylianakis I, Zervos N, Lii JH, Pantazis DA, Kolocouris A. Stylianakis I, et al. J Comput Aided Mol Des. 2023 Dec;37(12):607-656. doi: 10.1007/s10822-023-00513-5. Epub 2023 Aug 19. J Comput Aided Mol Des. 2023. PMID: 37597063 Free PMC article. Review.

5

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.

Stylianakis I, Zervos N, Lii JH, Pantazis DA, Kolocouris A. Stylianakis I, et al. J Comput Aided Mol Des. 2023 Dec;37(12):657. doi: 10.1007/s10822-023-00531-3. J Comput Aided Mol Des. 2023. PMID: 37773475 Free PMC article. No abstract available.

6

Accurate calculation of affinity changes to the close state of influenza A M2 transmembrane domain in response to subtle structural changes of adamantyl amines using free energy perturbation methods in different lipid bilayers.

Georgiou K, Konstantinidi A, Hutterer J, Freudenberger K, Kolarov F, Lambrinidis G, Stylianakis I, Stampelou M, Gauglitz G, Kolocouris A. Georgiou K, et al. Among authors: stylianakis i. Biochim Biophys Acta Biomembr. 2024 Feb;1866(2):184258. doi: 10.1016/j.bbamem.2023.184258. Epub 2023 Nov 22. Biochim Biophys Acta Biomembr. 2024. PMID: 37995846 Review.

7

Copper-Catalyzed One-Pot Synthesis of Thiazolidin-2-imines.

Zorba LP, Stylianakis I, Tsoureas N, Kolocouris A, Vougioukalakis GC. Zorba LP, et al. Among authors: stylianakis i. J Org Chem. 2024 May 9. doi: 10.1021/acs.joc.4c00394. Online ahead of print. J Org Chem. 2024. PMID: 38725347

8

Spiro[pyrrolidine-2,2'-adamantanes]: synthesis, anti-influenza virus activity and conformational properties.

Stylianakis I, Kolocouris A, Kolocouris N, Fytas G, Foscolos GB, Padalko E, Neyts J, De Clercq E. Stylianakis I, et al. Bioorg Med Chem Lett. 2003 May 19;13(10):1699-703. doi: 10.1016/s0960-894x(03)00231-2. Bioorg Med Chem Lett. 2003. PMID: 12729645

9

The balance between side-chain and backbone-driven association in folding of the α-helical influenza A transmembrane peptide.

Stylianakis I, Shalev A, Scheiner S, Sigalas MP, Arkin IT, Glykos N, Kolocouris A. Stylianakis I, et al. J Comput Chem. 2020 Sep 30;41(25):2177-2188. doi: 10.1002/jcc.26381. Epub 2020 Jul 31. J Comput Chem. 2020. PMID: 32735736

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