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Items: 20

1.

Cyanine dyes with tail length asymmetry enhance photoselection: A multiscale study on DiD probes in a liquid disordered membrane.

Paloncýová M, Aniander G, Larsson E, Knippenberg S.

Spectrochim Acta A Mol Biomol Spectrosc. 2020 Jan 5;224:117329. doi: 10.1016/j.saa.2019.117329. Epub 2019 Jul 5.

PMID:
31326855
2.

Orientational distribution of DPH in lipid membranes: a comparison of molecular dynamics calculations and experimental time-resolved anisotropy experiments.

Paloncýová M, Ameloot M, Knippenberg S.

Phys Chem Chem Phys. 2019 Apr 3;21(14):7594-7604. doi: 10.1039/c8cp07754a.

PMID:
30900721
3.

Dermal Delivery of Selected Polyphenols from Silybum marianum. Theoretical and Experimental Study.

Kosina P, Paloncýová M, Svobodová AR, Zálešák B, Biedermann D, Ulrichová J, Vostálová J.

Molecules. 2018 Dec 24;24(1). pii: E61. doi: 10.3390/molecules24010061.

4.

Membrane-attached mammalian cytochromes P450: An overview of the membrane's effects on structure, drug binding, and interactions with redox partners.

Šrejber M, Navrátilová V, Paloncýová M, Bazgier V, Berka K, Anzenbacher P, Otyepka M.

J Inorg Biochem. 2018 Jun;183:117-136. doi: 10.1016/j.jinorgbio.2018.03.002. Epub 2018 Mar 5. Review.

5.

Structural Dynamics of Carbon Dots in Water and N, N-Dimethylformamide Probed by All-Atom Molecular Dynamics Simulations.

Paloncýová M, Langer M, Otyepka M.

J Chem Theory Comput. 2018 Apr 10;14(4):2076-2083. doi: 10.1021/acs.jctc.7b01149. Epub 2018 Mar 9.

6.

Molecular insights into the role of a distal F240A mutation that alters CYP1A1 activity towards persistent organic pollutants.

Navrátilová V, Paloncýová M, Berka K, Mise S, Haga Y, Matsumura C, Sakaki T, Inui H, Otyepka M.

Biochim Biophys Acta Gen Subj. 2017 Nov;1861(11 Pt A):2852-2860. doi: 10.1016/j.bbagen.2017.08.002. Epub 2017 Aug 3.

PMID:
28780123
7.

Effect of Lipid Charge on Membrane Immersion of Cytochrome P450 3A4.

Navrátilová V, Paloncýová M, Berka K, Otyepka M.

J Phys Chem B. 2016 Nov 3;120(43):11205-11213. Epub 2016 Oct 19.

PMID:
27723344
8.

In silico pharmacology: Drug membrane partitioning and crossing.

Di Meo F, Fabre G, Berka K, Ossman T, Chantemargue B, Paloncýová M, Marquet P, Otyepka M, Trouillas P.

Pharmacol Res. 2016 Sep;111:471-486. doi: 10.1016/j.phrs.2016.06.030. Epub 2016 Jul 1. Review.

PMID:
27378566
9.

Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4.

Paloncýová M, Navrátilová V, Berka K, Laio A, Otyepka M.

J Chem Theory Comput. 2016 Apr 12;12(4):2101-9. doi: 10.1021/acs.jctc.6b00075. Epub 2016 Mar 23.

PMID:
26967371
10.

The Role of Protein-Protein and Protein-Membrane Interactions on P450 Function.

Scott EE, Wolf CR, Otyepka M, Humphreys SC, Reed JR, Henderson CJ, McLaughlin LA, Paloncýová M, Navrátilová V, Berka K, Anzenbacher P, Dahal UP, Barnaba C, Brozik JA, Jones JP, Estrada DF, Laurence JS, Park JW, Backes WL.

Drug Metab Dispos. 2016 Apr;44(4):576-90. doi: 10.1124/dmd.115.068569. Epub 2016 Feb 5. Review.

11.

Structural Changes in Ceramide Bilayers Rationalize Increased Permeation through Stratum Corneum Models with Shorter Acyl Tails.

Paloncýová M, Vávrová K, Sovová Ž, DeVane R, Otyepka M, Berka K.

J Phys Chem B. 2015 Jul 30;119(30):9811-9. doi: 10.1021/acs.jpcb.5b05522. Epub 2015 Jul 22.

PMID:
26151643
12.

Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes.

Fabre G, Bayach I, Berka K, Paloncýová M, Starok M, Rossi C, Duroux JL, Otyepka M, Trouillas P.

Chem Commun (Camb). 2015 May 4;51(36):7713-6. doi: 10.1039/c5cc00636h.

PMID:
25851839
13.

Effect of cholesterol on the structure of membrane-attached cytochrome P450 3A4.

Navrátilová V, Paloncýová M, Kajšová M, Berka K, Otyepka M.

J Chem Inf Model. 2015 Mar 23;55(3):628-35. doi: 10.1021/ci500645k. Epub 2015 Feb 19.

PMID:
25654496
14.

Rationalization of reduced penetration of drugs through ceramide gel phase membrane.

Paloncýová M, DeVane RH, Murch BP, Berka K, Otyepka M.

Langmuir. 2014 Nov 25;30(46):13942-8. doi: 10.1021/la503289v. Epub 2014 Nov 11.

PMID:
25354090
15.

Benchmarking of Force Fields for Molecule-Membrane Interactions.

Paloncýová M, Fabre G, DeVane RH, Trouillas P, Berka K, Otyepka M.

J Chem Theory Comput. 2014 Sep 9;10(9):4143-51. doi: 10.1021/ct500419b. Epub 2014 Jul 8.

PMID:
26588554
16.

Amphiphilic drug-like molecules accumulate in a membrane below the head group region.

Paloncýová M, DeVane R, Murch B, Berka K, Otyepka M.

J Phys Chem B. 2014 Jan 30;118(4):1030-9. doi: 10.1021/jp4112052. Epub 2014 Jan 21.

PMID:
24417480
17.

Behavior of human cytochromes P450 on lipid membranes.

Berka K, Paloncýová M, Anzenbacher P, Otyepka M.

J Phys Chem B. 2013 Oct 3;117(39):11556-64. doi: 10.1021/jp4059559. Epub 2013 Sep 13.

PMID:
23987570
18.

Lipid bilayer membrane affinity rationalizes inhibition of lipid peroxidation by a natural lignan antioxidant.

Podloucká P, Berka K, Fabre G, Paloncýová M, Duroux JL, Otyepka M, Trouillas P.

J Phys Chem B. 2013 May 2;117(17):5043-9. doi: 10.1021/jp3127829. Epub 2013 Apr 16.

PMID:
23560800
19.

Molecular insight into affinities of drugs and their metabolites to lipid bilayers.

Paloncýová M, Berka K, Otyepka M.

J Phys Chem B. 2013 Feb 28;117(8):2403-10. doi: 10.1021/jp311802x. Epub 2013 Feb 19.

PMID:
23387302
20.

Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.

Paloncýová M, Berka K, Otyepka M.

J Chem Theory Comput. 2012 Apr 10;8(4):1200-1211. Epub 2012 Feb 24.

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