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Items: 1 to 50 of 87

1.

Insight into the antimicrobial mechanism of action of β2,2-amino acid derivatives from molecular dynamics simulation: Dancing the can-can at the membrane surface.

Koivuniemi A, Fallarero A, Bunker A.

Biochim Biophys Acta Biomembr. 2019 Jul 31;1861(11):183028. doi: 10.1016/j.bbamem.2019.07.016. [Epub ahead of print]

2.

Determinants of Orexin Receptor Binding and Activation-A Molecular Dynamics Study.

Karhu L, Magarkar A, Bunker A, Xhaard H.

J Phys Chem B. 2019 Mar 28;123(12):2609-2622. doi: 10.1021/acs.jpcb.8b10220. Epub 2019 Mar 18.

3.

Oligomerization Alters Binding Affinity Between Amyloid Beta and a Modulator of Peptide Aggregation.

Hilt S, Rojalin T, Viitala T, Koivuniemi A, Bunker A, Hogiu SW, Kálai T, Hideg K, Yliperttula M, Voss JC.

J Phys Chem C Nanomater Interfaces. 2017 Nov 2;121(43):23974-23987. doi: 10.1021/acs.jpcc.7b06164. Epub 2017 Oct 10.

4.

Lipid Architectonics for Superior Oral Bioavailability of Nelfinavir Mesylate: Comparative in vitro and in vivo Assessment.

Belubbi T, Shevade S, Dhawan V, Sridhar V, Majumdar A, Nunes R, Araújo F, Sarmento B, Nagarsenker K, Steiniger F, Fahr A, Magarkar A, Bunker A, Nagarsenker M.

AAPS PharmSciTech. 2018 Nov;19(8):3584-3598. doi: 10.1208/s12249-018-1156-3. Epub 2018 Sep 12.

PMID:
30209788
5.

Control of Peptide Aggregation and Fibrillation by Physical PEGylation.

Ambrosio E, Podmore A, Gomes Dos Santos AL, Magarkar A, Bunker A, Caliceti P, Mastrotto F, van der Walle CF, Salmaso S.

Biomacromolecules. 2018 Oct 8;19(10):3958-3969. doi: 10.1021/acs.biomac.8b00887. Epub 2018 Sep 4.

PMID:
30130095
6.

The effect of light sensitizer localization on the stability of indocyanine green liposomes.

Lajunen T, Nurmi R, Wilbie D, Ruoslahti T, Johansson NG, Korhonen O, Rog T, Bunker A, Ruponen M, Urtti A.

J Control Release. 2018 Aug 28;284:213-223. doi: 10.1016/j.jconrel.2018.06.029. Epub 2018 Jun 28.

7.

Biophysical Characterization of Supported Lipid Bilayers Using Parallel Dual-Wavelength Surface Plasmon Resonance and Quartz Crystal Microbalance Measurements.

Parkkila P, Elderdfi M, Bunker A, Viitala T.

Langmuir. 2018 Jul 10;34(27):8081-8091. doi: 10.1021/acs.langmuir.8b01259. Epub 2018 Jun 25.

8.

Comparison of time-gated surface-enhanced raman spectroscopy (TG-SERS) and classical SERS based monitoring of Escherichia coli cultivation samples.

Kögler M, Paul A, Anane E, Birkholz M, Bunker A, Viitala T, Maiwald M, Junne S, Neubauer P.

Biotechnol Prog. 2018 Nov;34(6):1533-1542. doi: 10.1002/btpr.2665. Epub 2018 Aug 6.

PMID:
29882305
9.

Membrane bound COMT isoform is an interfacial enzyme: general mechanism and new drug design paradigm.

Magarkar A, Parkkila P, Viitala T, Lajunen T, Mobarak E, Licari G, Cramariuc O, Vauthey E, Róg T, Bunker A.

Chem Commun (Camb). 2018 Apr 3;54(28):3440-3443. doi: 10.1039/c8cc00221e.

PMID:
29445781
10.

Estimated Effect of Temperature on Years of Life Lost: A Retrospective Time-Series Study of Low-, Middle-, and High-Income Regions.

Odhiambo Sewe M, Bunker A, Ingole V, Egondi T, Oudin Åström D, Hondula DM, Rocklöv J, Schumann B.

Environ Health Perspect. 2018 Jan 12;126(1):017004. doi: 10.1289/EHP1745.

11.

Excess burden of non-communicable disease years of life lost from heat in rural Burkina Faso: a time series analysis of the years 2000-2010.

Bunker A, Sewe MO, Sié A, Rocklöv J, Sauerborn R.

BMJ Open. 2017 Nov 4;7(11):e018068. doi: 10.1136/bmjopen-2017-018068.

12.

Interactions between Chloramphenicol, Carrier Polymers, and Bacteria-Implications for Designing Electrospun Drug Delivery Systems Countering Wound Infection.

Preem L, Mahmoudzadeh M, Putrinš M, Meos A, Laidmäe I, Romann T, Aruväli J, Härmas R, Koivuniemi A, Bunker A, Tenson T, Kogermann K.

Mol Pharm. 2017 Dec 4;14(12):4417-4430. doi: 10.1021/acs.molpharmaceut.7b00524. Epub 2017 Nov 16.

PMID:
29099601
13.

A novel in silico framework to improve MHC-I epitopes and break the tolerance to melanoma.

Capasso C, Magarkar A, Cervera-Carrascon V, Fusciello M, Feola S, Muller M, Garofalo M, Kuryk L, Tähtinen S, Pastore L, Bunker A, Cerullo V.

Oncoimmunology. 2017 May 11;6(9):e1319028. doi: 10.1080/2162402X.2017.1319028. eCollection 2017. Erratum in: Oncoimmunology. 2017 Oct 6;6(10 ):e1389146. Cervera-Carascon, Victor [corrected to Cervera-Carrascon, Victor].

14.

Adaptation to Climate Change: A Comparative Analysis of Modeling Methods for Heat-Related Mortality.

Gosling SN, Hondula DM, Bunker A, Ibarreta D, Liu J, Zhang X, Sauerborn R.

Environ Health Perspect. 2017 Aug 16;125(8):087008. doi: 10.1289/EHP634.

15.

Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies.

Alves AC, Magarkar A, Horta M, Lima JLFC, Bunker A, Nunes C, Reis S.

Sci Rep. 2017 Jul 24;7(1):6343. doi: 10.1038/s41598-017-06445-z.

16.

A computational study suggests that replacing PEG with PMOZ may increase exposure of hydrophobic targeting moiety.

Magarkar A, Róg T, Bunker A.

Eur J Pharm Sci. 2017 May 30;103:128-135. doi: 10.1016/j.ejps.2017.03.008. Epub 2017 Mar 9.

PMID:
28285174
17.

Effects of Membrane PEGylation on Entry and Location of Antifungal Drug Itraconazole and Their Pharmacological Implications.

Dzieciuch-Rojek M, Poojari C, Bednar J, Bunker A, Kozik B, Nowakowska M, Vattulainen I, Wydro P, Kepczynski M, Róg T.

Mol Pharm. 2017 Apr 3;14(4):1057-1070. doi: 10.1021/acs.molpharmaceut.6b00969. Epub 2017 Mar 7.

PMID:
28234487
18.

Effect of piroxicam on lipid membranes: Drug encapsulation and gastric toxicity aspects.

Wilkosz N, Rissanen S, Cyza M, Szybka R, Nowakowska M, Bunker A, Róg T, Kepczynski M.

Eur J Pharm Sci. 2017 Mar 30;100:116-125. doi: 10.1016/j.ejps.2017.01.007. Epub 2017 Jan 10.

PMID:
28087354
19.

Design of cholesterol arabinogalactan anchored liposomes for asialoglycoprotein receptor mediated targeting to hepatocellular carcinoma: In silico modeling, in vitro and in vivo evaluation.

Pathak P, Dhawan V, Magarkar A, Danne R, Govindarajan S, Ghosh S, Steiniger F, Chaudhari P, Gopal V, Bunker A, Róg T, Fahr A, Nagarsenker M.

Int J Pharm. 2016 Jul 25;509(1-2):149-158. doi: 10.1016/j.ijpharm.2016.05.041. Epub 2016 May 23.

PMID:
27231122
20.

Effects of Air Temperature on Climate-Sensitive Mortality and Morbidity Outcomes in the Elderly; a Systematic Review and Meta-analysis of Epidemiological Evidence.

Bunker A, Wildenhain J, Vandenbergh A, Henschke N, Rocklöv J, Hajat S, Sauerborn R.

EBioMedicine. 2016 Apr;6:258-268. doi: 10.1016/j.ebiom.2016.02.034. Epub 2016 Feb 23. Review.

21.

Oncolytic adenoviruses coated with MHC-I tumor epitopes increase the antitumor immunity and efficacy against melanoma.

Capasso C, Hirvinen M, Garofalo M, Romaniuk D, Kuryk L, Sarvela T, Vitale A, Antopolsky M, Magarkar A, Viitala T, Suutari T, Bunker A, Yliperttula M, Urtti A, Cerullo V.

Oncoimmunology. 2015 Oct 29;5(4):e1105429. eCollection 2016 Apr.

22.

Indocyanine Green-Loaded Liposomes for Light-Triggered Drug Release.

Lajunen T, Kontturi LS, Viitala L, Manna M, Cramariuc O, Róg T, Bunker A, Laaksonen T, Viitala T, Murtomäki L, Urtti A.

Mol Pharm. 2016 Jun 6;13(6):2095-107. doi: 10.1021/acs.molpharmaceut.6b00207. Epub 2016 Apr 29.

PMID:
27097108
23.

Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their PEGylation.

Bunker A, Magarkar A, Viitala T.

Biochim Biophys Acta. 2016 Oct;1858(10):2334-2352. doi: 10.1016/j.bbamem.2016.02.025. Epub 2016 Feb 23. Review.

24.

Impaired Coronary Endothelial Vasorelaxation in a Preclinical Model of Peripheral Arterial Insufficiency.

Arce-Esquivel AA, Bunker AK, Simmons GH, Yang HT, Laughlin MH, Terjung RL.

J Heart Cardiol. 2015;1(2). doi: 10.15436/2378-6914/15/010. Epub 2015 Jun 29.

25.

PEGylated Liposomes as Carriers of Hydrophobic Porphyrins.

Dzieciuch M, Rissanen S, Szydłowska N, Bunker A, Kumorek M, Jamróz D, Vattulainen I, Nowakowska M, Róg T, Kepczynski M.

J Phys Chem B. 2015 Jun 4;119(22):6646-57. doi: 10.1021/acs.jpcb.5b01351. Epub 2015 May 22.

PMID:
25965670
26.

Hydrophobin film structure for HFBI and HFBII and mechanism for accelerated film formation.

Magarkar A, Mele N, Abdel-Rahman N, Butcher S, Torkkeli M, Serimaa R, Paananen A, Linder M, Bunker A.

PLoS Comput Biol. 2014 Jul 31;10(7):e1003745. doi: 10.1371/journal.pcbi.1003745. eCollection 2014 Jul.

27.

Cholesterol level affects surface charge of lipid membranes in saline solution.

Magarkar A, Dhawan V, Kallinteri P, Viitala T, Elmowafy M, Róg T, Bunker A.

Sci Rep. 2014 May 21;4:5005. doi: 10.1038/srep05005.

28.

Pediatric reference intervals for thyroglobulin using the Beckman Coulter Access 2 immunoassay.

Owen WE, Bunker AM, Straseski JA.

Clin Chim Acta. 2014 Aug 5;435:40-1. doi: 10.1016/j.cca.2014.04.013. Epub 2014 Apr 26. No abstract available.

PMID:
24780579
29.

Effect of PEGylation on drug entry into lipid bilayer.

Rissanen S, Kumorek M, Martinez-Seara H, Li YC, Jamróz D, Bunker A, Nowakowska M, Vattulainen I, Kepczynski M, Róg T.

J Phys Chem B. 2014 Jan 9;118(1):144-51. doi: 10.1021/jp4105745. Epub 2013 Dec 24.

PMID:
24350646
30.

New childhood and adult reference intervals for total IgE.

Martins TB, Bandhauer ME, Bunker AM, Roberts WL, Hill HR.

J Allergy Clin Immunol. 2014 Feb;133(2):589-91. doi: 10.1016/j.jaci.2013.08.037. Epub 2013 Oct 15. No abstract available.

PMID:
24139495
31.

Force Biased Molecular Dynamics Simulation Study of Effect of Dendrimer Generation on Interaction with DNA.

Nandy B, Maiti PK, Bunker A.

J Chem Theory Comput. 2013 Jan 8;9(1):722-9. doi: 10.1021/ct300678r. Epub 2012 Nov 27.

PMID:
26589067
32.

Strong preferences of dopamine and l-dopa towards lipid head group: importance of lipid composition and implication for neurotransmitter metabolism.

Orłowski A, Grzybek M, Bunker A, Pasenkiewicz-Gierula M, Vattulainen I, Männistö PT, Róg T.

J Neurochem. 2012 Aug;122(4):681-90. doi: 10.1111/j.1471-4159.2012.07813.x. Epub 2012 Jun 27.

33.

Study of interaction between PEG carrier and three relevant drug molecules: piroxicam, paclitaxel, and hematoporphyrin.

Li YC, Rissanen S, Stepniewski M, Cramariuc O, Róg T, Mirza S, Xhaard H, Wytrwal M, Kepczynski M, Bunker A.

J Phys Chem B. 2012 Jun 21;116(24):7334-41. doi: 10.1021/jp300301z. Epub 2012 Jun 5.

PMID:
22587534
34.

Fluid dynamics modeling for synchronizing surface plasmon resonance and quartz crystal microbalance as tools for biomolecular and targeted drug delivery studies.

Viitala T, Liang H, Gupta M, Zwinger T, Yliperttula M, Bunker A.

J Colloid Interface Sci. 2012 Jul 15;378(1):251-9. doi: 10.1016/j.jcis.2012.04.012. Epub 2012 Apr 25.

PMID:
22579516
35.

Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase.

Kaszuba K, Róg T, Danne R, Canning P, Fülöp V, Juhász T, Szeltner Z, St Pierre JF, García-Horsman A, Männistö PT, Karttunen M, Hokkanen J, Bunker A.

Biochimie. 2012 Jun;94(6):1398-411. doi: 10.1016/j.biochi.2012.03.012. Epub 2012 Mar 30.

PMID:
22484394
36.

Direct measurement of free estradiol in human serum by equilibrium dialysis-liquid chromatography-tandem mass spectrometry and reference intervals of free estradiol in women.

Ray JA, Kushnir MM, Bunker A, Rockwood AL, Meikle AW.

Clin Chim Acta. 2012 Jun 14;413(11-12):1008-14. doi: 10.1016/j.cca.2012.02.028. Epub 2012 Mar 6.

PMID:
22421268
37.

Molecular dynamics simulation of PEGylated bilayer interacting with salt ions: a model of the liposome surface in the bloodstream.

Magarkar A, Karakas E, Stepniewski M, Róg T, Bunker A.

J Phys Chem B. 2012 Apr 12;116(14):4212-9. doi: 10.1021/jp300184z. Epub 2012 Mar 28.

PMID:
22420691
38.

Analysis of cause of failure of new targeting peptide in PEGylated liposome: molecular modeling as rational design tool for nanomedicine.

Lehtinen J, Magarkar A, Stepniewski M, Hakola S, Bergman M, Róg T, Yliperttula M, Urtti A, Bunker A.

Eur J Pharm Sci. 2012 Jun 14;46(3):121-30. doi: 10.1016/j.ejps.2012.02.009. Epub 2012 Feb 20.

PMID:
22381076
39.

Molecular dynamics simulations of the bacterial ABC transporter SAV1866 in the closed form.

St-Pierre JF, Bunker A, Róg T, Karttunen M, Mousseau N.

J Phys Chem B. 2012 Mar 8;116(9):2934-42. doi: 10.1021/jp209126c. Epub 2012 Feb 27.

PMID:
22339391
40.

Septin 9 methylated DNA is a sensitive and specific blood test for colorectal cancer.

Warren JD, Xiong W, Bunker AM, Vaughn CP, Furtado LV, Roberts WL, Fang JC, Samowitz WS, Heichman KA.

BMC Med. 2011 Dec 14;9:133. doi: 10.1186/1741-7015-9-133.

41.

Tat(48-60) peptide amino acid sequence is not unique in its cell penetrating properties and cell-surface glycosaminoglycans inhibit its cellular uptake.

Subrizi A, Tuominen E, Bunker A, Róg T, Antopolsky M, Urtti A.

J Control Release. 2012 Mar 10;158(2):277-85. doi: 10.1016/j.jconrel.2011.11.007. Epub 2011 Nov 12.

PMID:
22100438
42.

Properties of the membrane binding component of catechol-O-methyltransferase revealed by atomistic molecular dynamics simulations.

Orłowski A, St-Pierre JF, Magarkar A, Bunker A, Pasenkiewicz-Gierula M, Vattulainen I, Róg T.

J Phys Chem B. 2011 Nov 24;115(46):13541-50. doi: 10.1021/jp207177p. Epub 2011 Oct 27.

PMID:
21988370
43.

Use of Umbrella Sampling to Calculate the Entrance/Exit Pathway for Z-Pro-Prolinal Inhibitor in Prolyl Oligopeptidase.

St-Pierre JF, Karttunen M, Mousseau N, Róg T, Bunker A.

J Chem Theory Comput. 2011 Jun 14;7(6):1583-94. doi: 10.1021/ct1007058. Epub 2011 May 9.

PMID:
26596426
44.

Pediatric 25-hydroxyvitamin D concentrations in neurofibromatosis type 1.

Stevenson DA, Viskochil DH, Carey JC, Sheng X, Murray M, Moyer-Mileur L, Shelton J, Roberts WL, Bunker AM, Hanson H, Bauer S, D'Astous JL.

J Pediatr Endocrinol Metab. 2011;24(3-4):169-74.

45.

Study of PEGylated lipid layers as a model for PEGylated liposome surfaces: molecular dynamics simulation and Langmuir monolayer studies.

Stepniewski M, Pasenkiewicz-Gierula M, Róg T, Danne R, Orlowski A, Karttunen M, Urtti A, Yliperttula M, Vuorimaa E, Bunker A.

Langmuir. 2011 Jun 21;27(12):7788-98. doi: 10.1021/la200003n. Epub 2011 May 23.

PMID:
21604684
46.

Absence of XMRV retrovirus and other murine leukemia virus-related viruses in patients with chronic fatigue syndrome.

Shin CH, Bateman L, Schlaberg R, Bunker AM, Leonard CJ, Hughen RW, Light AR, Light KC, Singh IR.

J Virol. 2011 Jul;85(14):7195-202. doi: 10.1128/JVI.00693-11. Epub 2011 May 4.

47.

Age and gender specific pediatric reference intervals for aldolase, amylase, ceruloplasmin, creatine kinase, pancreatic amylase, prealbumin, and uric acid.

Clifford SM, Bunker AM, Jacobsen JR, Roberts WL.

Clin Chim Acta. 2011 Apr 11;412(9-10):788-90. doi: 10.1016/j.cca.2011.01.011. Epub 2011 Jan 14.

PMID:
21238443
48.

Effects of the lipid bilayer phase state on the water membrane interface.

Stepniewski M, Bunker A, Pasenkiewicz-Gierula M, Karttunen M, Róg T.

J Phys Chem B. 2010 Sep 16;114(36):11784-92. doi: 10.1021/jp104739a.

PMID:
20726538
49.

Liquid chromatography-tandem mass spectrometry assay for androstenedione, dehydroepiandrosterone, and testosterone with pediatric and adult reference intervals.

Kushnir MM, Blamires T, Rockwood AL, Roberts WL, Yue B, Erdogan E, Bunker AM, Meikle AW.

Clin Chem. 2010 Jul;56(7):1138-47. doi: 10.1373/clinchem.2010.143222. Epub 2010 May 20. Erratum in: Clin Chem. 2011 Jul;57(7):1084.

50.

Pediatric reference intervals for random urine calcium, phosphorus and total protein.

Slev PR, Bunker AM, Owen WE, Roberts WL.

Pediatr Nephrol. 2010 Sep;25(9):1707-10. doi: 10.1007/s00467-010-1544-8. Epub 2010 May 16.

PMID:
20473690

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