Forskningsresultat per år
Forskningsresultat per år
Sökresultat
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2021
Mechanistic Insight into How PEGylation Reduces the Efficacy of pH-Sensitive Liposomes from Molecular Dynamics Simulations
Mahmoudzadeh, M., Magarkar, A., Koivuniemi, A., Róg, T. & Bunker, A., 5 jul 2021, I: Molecular Pharmaceutics. 18, 7, s. 2612-2621 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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2020
Bitopic and Peripheral Membrane Proteins as Drug Targets: Broader Biophysical Insight from Biomembrane Simulations that Transcends the "Lock and Key'' Paradigm
Bunker, A., 7 feb 2020, I: Biophysical Journal. 118, 3, s. 160A-160A 1 s.Forskningsoutput: Tidskriftsbidrag › Mötesabstrakt › Forskning › Peer review
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Cholesterol Reduces Partitioning of Antifungal Drug Itraconazole into Lipid Bilayers
Poojari, C., Zak, A., Dzieciuch-Rojek, M., Bunker, A., Kepczynski, M. & Rog, T., 19 mar 2020, I: Journal of Physical Chemistry B. 124, 11, s. 2139-2148 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features
Mastrotto, F., Brazzale, C., Bellato, F., De Martin, S., Grange, G., Mahmoudzadeh, M., Magarkar, A., Bunker, A., Salmaso, S. & Caliceti, P., feb 2020, I: Molecular Pharmaceutics. 17, 2, s. 472-487 16 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Mechanistic Understanding From Molecular Dynamics Simulation in Pharmaceutical Research 1: Drug Delivery
Bunker, A. & Rog, T., 25 nov 2020, I: Frontiers in Molecular Biosciences. 7, 36 s., 604770.Forskningsoutput: Tidskriftsbidrag › Översiktsartikel › Vetenskaplig › Peer review
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Rigorous computational study reveals what docking overlooks: Double trouble from membrane association in protein kinase C modulators
Lautala, S., Provenzani, R., Koivuniemi, A., Kulig, W., Talman, V., Rog, T., Tuominen, R. K., Yli-Kauhaluoma, J. & Bunker, A. E., 23 nov 2020, I: Journal of Chemical Information and Modeling. 60, 11, s. 5624-5633 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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2019
A potent partial agonist of PKC orients in membranes like the biological activator diacylglycerol
Lautala, S., Koivuniemi, A., Kulig, W., Rog, T., Talman, V., Tuominen, R. & Bunker, A., jul 2019, I: European Biophysics Journal. 48, s. S122-S122 1 s.Forskningsoutput: Tidskriftsbidrag › Mötesabstrakt › Forskning › Peer review
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Determinants of Orexin Receptor Binding and Activation—A Molecular Dynamics Study
Karhu, L., Magarkar, A., Bunker, A. & Xhaard, H., 28 mar 2019, I: Journal of Physical Chemistry B. 123, 12, s. 2609-2622 14 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., 1 nov 2019, I: Biochimica et Biophysica Acta. Biomembranes. 1861, 11, 8 s., 183028.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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The catalytic mechanism of MB-COMT: new drug design paradigm?
Bunker, A., Rog, T., Magarkar, A., Parkkila, P., Lajunen, T., Mobarak, E., Cramariuc, O., Licari, G. & Vauthey, E., jul 2019, I: European Biophysics Journal. 48, s. S63-S63 1 s.Forskningsoutput: Tidskriftsbidrag › Mötesabstrakt › Forskning › Peer review
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2018
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., 10 jul 2018, I: Langmuir. 34, 27, s. 8081-8091 11 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Characterization of membrane–foulant interactions with novel combination of Raman spectroscopy, surface plasmon resonance and molecular dynamics simulation
Virtanen, T., Parkkila, P., Koivuniemi, A., Lahti, J., Viitala, T., Kallioinen, M., Mänttäri, M. & Bunker, A., 31 okt 2018, I: Separation and Purification Technology. 205, s. 263-272 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., 2018, I: Biotechnology Progress. 34, 6, s. 1533-1542 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Control of Peptide Aggregation and Fibrillation by Physical PEGylation
Ambrosio, E., Podmore, A., dos Santos, A. L. G., Magarkar, A., Bunker, A., Caliceti, P., Mastrotto, F., van der Walle, C. F. & Salmaso, S., okt 2018, I: Biomacromolecules. 19, 10, s. 3958-3969 12 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Glyceryl Monostearate: Probing the Self Assembly of a Lipid Amenable To Surface Modification for Hepatic Targeting
Marwah, M., Magarkar, A., Ray, D., Aswal, V., Bunker, A. & Nagarsenker, M., 27 sep 2018, I: Journal of Physical Chemistry C. 122, 38, s. 22160-22169 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., Araujo, F., Sarmento, B., Nagarsenker, K., Steiniger, F., Fahr, A., Magarkar, A., Bunker, A. & Nagarsenker, M., nov 2018, I: AAPS PharmSciTech. 19, 8, s. 3584-3598 15 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., Rog, T. & Bunker, A., 11 apr 2018, I: Chemical Communications. 54, 28, s. 3440-3443 4 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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The effect of light sensitizer localization on the stability of indocyanine green liposomes
Lajunen, T., Nurmi, R., Wilbie, D., Ruoslahti, T., Johansson, N. G., Korhonen, O., Rog, T., Bunker, A., Ruponen, M. & Urtti, A., 28 aug 2018, I: Journal of Controlled Release. 284, s. 213-223 11 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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2017
A computational study suggests that replacing PEG with PMOZ may increase exposure of hydrophobic targeting moiety
Magarkar, A., Rog, T. & Bunker, A., 30 maj 2017, I: European Journal of Pharmaceutical Sciences. 103, s. 128-135 8 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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A novel in silico framework to improve MHC-I epitopes and break the tolerance to melanoma
Capasso, C., Magarkar, A., Cervera-Carascon, V., Fusciello, M., Feolaf, S., Muller, M., Garofalo, M., Kuryk, L., Tahtinen, S., Pastore, L., Bunker, A. & Cerullo, V., 2017, I: OncoImmunology. 6, 9, 14 s., 1319028.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Effect of piroxicam on lipid membranes: Drug encapsulation and gastric toxicity aspects
Wilkosz, N., Rissanen, S., Cyza, M., Szybka, R., Nowakowska, M., Bunker, A., Rog, T. & Kepczynski, M., 30 mar 2017, I: European Journal of Pharmaceutical Sciences. 100, s. 116-125 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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. & Rog, T., apr 2017, I: Molecular Pharmaceutics. 14, 4, s. 1057-1070 14 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies
Alves, A. C., Magarkar, A., Horta, M., Lima, J. L. F. C., Bunker, A., Nunes, C. & Reis, S., 24 jul 2017, I: Scientific Reports. 7, 11 s., 6343.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Interactions between Chloramphenicol, Carrier Polymers, and Bacteria-Implications for Designing Electrospun Drug Delivery Systems Countering Wound Infection
Preem, L., Mahmoudzadeh, M., Putrins, M., Meos, A., Laidmäe, I., Romann, T., Aruväli, J., Härmäs, R., Koivuniemi, A., Bunker, A., Tenson, T. & Kogermann, K., dec 2017, I: Molecular Pharmaceutics. 14, 12, s. 4417-4430 14 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Oligomerization Alters Binding Affinity between Amyloid Beta and a Modulator of Peptide Aggregation
Hilt, S., Rojalin, T., Viitala, T., Koivuniemi, A., Bunker, A., Wachsmann-Hogiu, S., Kalai, T., Hideg, K., Yliperttula, M. & Voss, J. C., 2 nov 2017, I: Journal of Physical Chemistry C. 121, 43, s. 23974-23987 14 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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2016
Computational Modeling Using the Multiscale Modeling Paradigm: The Key to Achieving Rational Design in Nanomedicine; Liposome-Based Drug Delivery Systems as a Case Study
Bunker, A., 2016, I: CRS Newsletter. 33, 5, s. 13-15 3 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig
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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. E., Rog, T., Fahr, M. & Nagarsenker, M., 23 maj 2016, I: International Journal of Pharmaceutics. 509, 1-2, s. 149-158 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Detection of Listeria innocua on roll-to-roll produced SERS substrates with gold nanoparticles
Uusitalo, S., Kogler, M., Välimaa, A. -L., Popov, A., Ryabchikov, Y., Kontturi, V., Siitonen, S., Petäjä, J., Virtanen, T., Laitinen, R., Kinnunen, M., Meglinski, I., Kabashin, A., Bunker, A., Viitala, T. & Hiltunen, J., 2016, I: RSC Advances. 6, 67, s. 62981-62989 9 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Indocyanine Green-Loaded Liposomes for Light-Triggered Drug Release
Lajunen, T., Kontturi, L-S., Viitala, L., Manna, M., Cramariuc, O., Rog, T., Bunker, A., Laaksonen, T., Viitala, T., Murtomäki, L. & Urtti, A., jun 2016, I: Molecular Pharmaceutics. 13, 6, s. 2095-2107 13 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Oncolytic adenoviruses coated with MHC-I tumor epitopes increase the anti-tumor 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., 2016, I: OncoImmunology. 5, 4, 11 s., 1105429.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., okt 2016, I: Biochimica et Biophysica Acta. Biomembranes. 1858, 10, s. 2334-2352 19 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Stearylated cycloarginine nanosystems for intracellular delivery - simulations, formulation and proof of concept
Dhawan, V., Magarkar, A., Joshi, G., Makhija, D., Jain, A., Shah, J., Reddy, B. V. V., Krishnapriya, M., Rog, T., Bunker, A., Jagtap, A. & Nagarsenker, M., 2016, I: RSC Advances. 6, 114, s. 113538-113550 13 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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2015
Molecular Modeling as a Tool to Understand the Role of Poly (Ethylene) Glycol in Drug Delivery
Bunker, A., 2015, Computational pharmaceutics: application of molecular modelling to drug discovery. Ouyang, D. & Smith, S. C. (red.). New York: John Wiley & Sons Ltd. , s. 217-233 16 s.Forskningsoutput: Kapitel i bok/rapport/konferenshandling › Kapitel › Vetenskaplig › Peer review
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New oncolytic vaccine platform enhance anti-tumor immunity in humanized mice with human melanomas
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., 1 okt 2015, I: Human Gene Therapy. 26, 10, s. A53-A53 1 s.Forskningsoutput: Tidskriftsbidrag › Mötesabstrakt › Forskning › Peer review
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PEGylated Liposomes as Carriers of Hydrophobic Porphyrins
Dzieciuch, M., Rissanen, S., Szydlowska, N., Bunker, A., Kumorek, M., Jamroz, D., Vattulainen, I., Nowakowska, M., Rog, T. & Kepczynski, M., 4 jun 2015, I: Journal of Physical Chemistry B. 119, 22, s. 6646-6657 12 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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2014
Cholesterol level affects surface charge of lipid membranes in saline solution
Magarkar, A., Dhawan, V., Kallinteri, P., Viitala, T., Elmowafy, M., Rog, T. & Bunker, A., 21 maj 2014, I: Scientific Reports. 4, 5 s., 5005.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Effect of PEGylation on Drug Entry into Lipid Bilayer
Rissanen, S., Kumorek, M., Martinez-Seara, H., Li, Y-C., Jamroz, D., Bunker, A., Nowakowska, M., Vattulainen, I., Kepczynski, M. & Rog, T., 9 jan 2014, I: Journal of Physical Chemistry B. 118, 1, s. 144-151 8 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., jul 2014, I: PLoS Computational Biology. 10, 7, 13 s., 1003745.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Molecular Dynamics Simulation of Inverse-Phosphocholine Lipids
Magarkar, A., Róg, T. & Bunker, A., 1 aug 2014, I: Journal of Physical Chemistry C. 118, 33, s. 19444-19449 6 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Molecular Dynamics Simulation of PEGylated Membranes with Cholesterol: Building Toward the DOXIL Formulation
Magarkar, A., Rog, T. & Bunker, A., 17 jul 2014, I: Journal of Physical Chemistry C. 118, 28, s. 15541-15549 9 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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2013
Force Biased Molecular Dynamics Simulation Study of Effect of Dendrimer Generation on Interaction with DNA
Nandy, B., Maiti, P. K. & Bunker, A., 2013, I: Journal of Chemical Theory and Computation. 9, 1, s. 722-729 8 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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2012
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., Rog, T., Yliperttula, M., Urtti, A. & Bunker, A., 14 jun 2012, I: European Journal of Pharmaceutical Sciences. 46, 3, s. 121-130 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., 15 jul 2012, I: Journal of Colloid and Interface Science. 378, 1, s. 251-259 9 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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, J-F., Garcia Horsman, A., Männistö, P. T., Karttunen, M., Hokkanen, J. & Bunker, A., 2012, I: Biochimie. 94, 6, s. 1398-1411 14 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., 2012, I: Journal of Physical Chemistry B. 116, 14, s. 4212-4219Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Molecular dynamics simulations of the bacterial ABC tranporter SAV1866 in the closed form
St. Pierre, J-F., Bunker, A., Róg, T., Karttunen, M. & Mousseau, N., 16 feb 2012, I: Journal of Physical Chemistry B. 116, 9, s. 2934 - 2942 8 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Poly(Ethylene Glycol) in Drug Delivery, Why Does it Work, and Can We do Better? All Atom Molecular Dynamics Simulation Provides Some Answers
Bunker, A., 19 jul 2012, I: Physics Procedia. 34, s. 24-33 10 s.Forskningsoutput: Tidskriftsbidrag › Konferensartikel › Vetenskaplig › Peer review
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Strong preferences of dopamine and L-dopa towards lipid head group: importance of lipid composition and implication for neurotransmitter metabolism.
Adam, O., Grzybek, M., Bunker, A., Pasenkiewicz-Giurula, M., Vattulainen, I., Männistö, P. T. & Róg, T., 27 jun 2012, I: Journal of Neurochemistry. 122, 4, s. 681-690 10 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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Study of Interaction Between PEG Carrier and Three Relevant Drug Molecules: Piroxicam, Paclitaxel, and Hematoporphyrin
Li, Y-C., Rissanen, S., Stepniewski, M., Cramariuc, O., Róg, T., Mirza, S., Xhaard, H., Wytrwal, M., Kepczynski, M. & Bunker, A., 15 maj 2012, I: Journal of Physical Chemistry B. 116, 24, s. 7334-7341Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review
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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., 10 mar 2012, I: Journal of Controlled Release. 158, 2, s. 277 - 285 8 s.Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review