Photo of Alex Edwin Bunker
  • PL 56 (Viikinkaari 5)

    00014

    Finland

20052019
If you made any changes in Pure these will be visible here soon.

Publications 2008 2019

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, In : European Biophysics Journal. 48, p. S122-S122 1 p.

Research output: Contribution to journalMeeting AbstractResearchpeer-review

Determinants of Orexin Receptor Binding and Activation—A Molecular Dynamics Study

Karhu, L., Magarkar, A., Bunker, A. & Xhaard, H., 28 Mar 2019, In : Journal of Physical Chemistry B. 123, 12, p. 2609-2622 14 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File

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, In : European Biophysics Journal. 48, p. S63-S63 1 p.

Research output: Contribution to journalMeeting AbstractResearchpeer-review

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, In : Langmuir. 34, 27, p. 8081-8091 11 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File

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., 23 May 2018, In : Separation and Purification Technology. 205, p. 263-272 10 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Biotechnology Progress. 34, 6, p. 1533-1542 10 p.

Research output: Contribution to journalArticleScientificpeer-review

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., Oct 2018, In : Biomacromolecules. 19, 10, p. 3958-3969 12 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Journal of Physical Chemistry C. 122, 38, p. 22160-22169 10 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : AAPS PharmSciTech. 19, 8, p. 3584-3598 15 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Chemical Communications. 54, 28, p. 3440-3443 4 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Journal of Controlled Release. 284, p. 213-223 11 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File
2017

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

Magarkar, A., Rog, T. & Bunker, A., 30 May 2017, In : European Journal of Pharmaceutical Sciences. 103, p. 128-135 8 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : OncoImmunology. 6, 9, 14 p., 1319028.

Research output: Contribution to journalArticleScientificpeer-review

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, In : European Journal of Pharmaceutical Sciences. 100, p. 116-125 10 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Molecular Pharmaceutics. 14, 4, p. 1057-1070 14 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Scientific Reports. 7, 11 p., 6343.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File

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, In : Molecular Pharmaceutics. 14, 12, p. 4417-4430 14 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Journal of Physical Chemistry C. 121, 43, p. 23974-23987 14 p.

Research output: Contribution to journalArticleScientificpeer-review

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 May 2016, In : International Journal of Pharmaceutics. 509, 1-2, p. 149-158 10 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : RSC Advances. 6, 67, p. 62981-62989 9 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File

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, In : Molecular Pharmaceutics. 13, 6, p. 2095-2107 13 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : OncoImmunology. 5, 4, 11 p., 1105429.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File

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, In : RSC Advances. 6, 114, p. 113538-113550 13 p.

Research output: Contribution to journalArticleScientificpeer-review

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. (eds.). New York: John Wiley & Sons Ltd. , p. 217-233 16 p.

Research output: Chapter in Book/Report/Conference proceedingChapterScientificpeer-review

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 Oct 2015, In : Human Gene Therapy. 26, 10, p. A53-A53 1 p.

Research output: Contribution to journalMeeting AbstractResearchpeer-review

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, In : Journal of Physical Chemistry B. 119, 22, p. 6646-6657 12 p.

Research output: Contribution to journalArticleScientificpeer-review

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 May 2014, In : Scientific Reports. 4, 5 p., 5005.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File

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, In : Journal of Physical Chemistry B. 118, 1, p. 144-151 8 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : PLoS Computational Biology. 10, 7, 13 p., 1003745.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File

Molecular Dynamics Simulation of Inverse-Phosphocholine Lipids

Magarkar, A., Róg, T. & Bunker, A., 1 Aug 2014, In : Journal of Physical Chemistry C. 118, 33, p. 19444-19449 6 p.

Research output: Contribution to journalArticleScientificpeer-review

Molecular Dynamics Simulation of PEGylated Membranes with Cholesterol: Building Toward the DOXIL Formulation

Magarkar, A., Rog, T. & Bunker, A., 17 Jul 2014, In : Journal of Physical Chemistry C. 118, 28, p. 15541-15549 9 p.

Research output: Contribution to journalArticleScientificpeer-review

2013

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

Nandy, B., Maiti, P. K. & Bunker, A., 2013, In : Journal of Chemical Theory and Computation. 9, 1, p. 722-729 8 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : European Journal of Pharmaceutical Sciences. 46, 3, p. 121-130 10 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Journal of Colloid and Interface Science. 378, 1, p. 251-259 9 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Biochimie. 94, 6, p. 1398-1411 14 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Journal of Physical Chemistry B. 116, 14, p. 4212-4219

Research output: Contribution to journalArticleScientificpeer-review

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, In : Journal of Physical Chemistry B. 116, 9, p. 2934 - 2942 8 p.

Research output: Contribution to journalArticleScientificpeer-review

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, In : Physics Procedia. 34, p. 24-33 10 p.

Research output: Contribution to journalConference articleScientificpeer-review

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, In : Journal of Neurochemistry. 122, 4, p. 681-690 10 p.

Research output: Contribution to journalArticleScientificpeer-review

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 May 2012, In : Journal of Physical Chemistry B. 116, 24, p. 7334-7341

Research output: Contribution to journalArticleScientificpeer-review

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, In : Journal of Controlled Release. 158, 2, p. 277 - 285 8 p.

Research output: Contribution to journalArticleScientificpeer-review

2011

Properties of the membrane binding component of M-COMT revealed by Molecular Dynamics simulations

Orlowski, A., St. Pierre, J-F., Magarkar, A., Bunker, A. E., Pasenkiewicz-Gierula, M., Vattulainen, I. T. & Rog, T., 15 Dec 2011, In : Journal of Physical Chemistry B. 115, 46, p. 13541 13550 p.

Research output: Contribution to journalArticleScientificpeer-review

Study of PEGylated Lipid Layers as a Model for PEGylated Liposome Surfaces: Molecular Dynamics Simulation and Langmuir Monolayer Studies

Stepniewski, M., Pasenkiewicz-Gierula, M., Rog, T., Danne, R., Orlowski, A., Karttunen, M., Urtti, A., Yliperttula, M., Vuorimaa, E. & Bunker, A., 21 Jun 2011, In : Langmuir. 27, 12, p. 7788-7798 11 p.

Research output: Contribution to journalArticleScientificpeer-review

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

St. Pierre, J-F., Karttunen, M., Mousseau, N., Tomasz, R. & Bunker, A. E., 1 Jun 2011, In : Journal of Chemical Theory and Computation. 7, 6, p. 1583-1594 11 p.

Research output: Contribution to journalArticleScientificpeer-review

2010

Effects of the Lipid Bilayer Phase State on the Water Membrane Interface

Bunker, A. E., Pasenkiewicz-Gierula, M., Stepniewski, M. A., Karttunen, M. & Ro´g, T., 9 Aug 2010, In : Journal of Physical Chemistry B. 114, p. 11784 - 11792

Research output: Contribution to journalArticleScientificpeer-review

2009

Molecular dynamics study of prolyl oligopeptidase with inhibitor in binding cavity

Kaszuba, K., Rog, T., St. Pierre, J. -F., Männistö, P. T., Karttunen, M. & Bunker, A., 17 Dec 2009, In : SAR and QSAR in environmental research.. 20, 7/8, p. 595-609 15 p.

Research output: Contribution to journalArticleScientificpeer-review

Multiscale modeling of emergent materials: biological and soft matter

Murtola, T., Bunker, A., Vattulainen, I., Deserno, M. & Karttunen, M., 2009, In : Physical Chemistry Chemical Physics. 11, p. 1869-1892 24 p.

Research output: Contribution to journalArticleScientificpeer-review