Alex Bunker
Alex Bunker
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Multiscale modeling of emergent materials: biological and soft matter
T Murtola, A Bunker, I Vattulainen, M Deserno, M Karttunen
Physical Chemistry Chemical Physics 11 (12), 1869-1892, 2009
Cholesterol level affects surface charge of lipid membranes in saline solution
A Magarkar, V Dhawan, P Kallinteri, T Viitala, M Elmowafy, T Róg, ...
Scientific reports 4 (1), 5005, 2014
Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their PEGylation
A Bunker, A Magarkar, T Viitala
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (10), 2334-2352, 2016
Indocyanine green-loaded liposomes for light-triggered drug release
T Lajunen, LS Kontturi, L Viitala, M Manna, O Cramariuc, T Rog, A Bunker, ...
Molecular pharmaceutics 13 (6), 2095-2107, 2016
Study of PEGylated lipid layers as a model for PEGylated liposome surfaces: molecular dynamics simulation and Langmuir monolayer studies
M Stepniewski, M Pasenkiewicz-Gierula, T Rog, R Danne, A Orlowski, ...
Langmuir 27 (12), 7788-7798, 2011
Fast spin dynamics algorithms for classical spin systems
M Krech, A Bunker, DP Landau
Computer physics communications 111 (1-3), 1-13, 1998
Oncolytic adenoviruses coated with MHC-I tumor epitopes increase the antitumor immunity and efficacy against melanoma
C Capasso, M Hirvinen, M Garofalo, D Romaniuk, L Kuryk, T Sarvela, ...
Oncoimmunology 5 (4), e1105429, 2016
Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies
AC Alves, A Magarkar, M Horta, JLFC Lima, A Bunker, C Nunes, S Reis
Scientific reports 7 (1), 6343, 2017
Poly (ethylene glycol) in drug delivery, why does it work, and can we do better? All atom molecular dynamics simulation provides some answers
A Bunker
Physics procedia 34, 24-33, 2012
Parallel excluded volume tempering for polymer melts
A Bunker, B Dünweg
Physical Review E 63 (1), 016701, 2000
Analysis of cause of failure of new targeting peptide in PEGylated liposome: molecular modeling as rational design tool for nanomedicine
J Lehtinen, A Magarkar, M Stepniewski, S Hakola, M Bergman, T Róg, ...
European journal of pharmaceutical sciences 46 (3), 121-130, 2012
Glycolipid membranes through atomistic simulations: effect of glucose and galactose head groups on lipid bilayer properties
T Róg, I Vattulainen, A Bunker, M Karttunen
the Journal of physical chemistry B 111 (34), 10146-10154, 2007
Molecular dynamics simulation of PEGylated bilayer interacting with salt ions: a model of the liposome surface in the bloodstream
A Magarkar, E Karakas, M Stepniewski, T Rog, A Bunker
The Journal of Physical Chemistry B 116 (14), 4212-4219, 2012
Mechanistic understanding from molecular dynamics simulation in pharmaceutical research 1: Drug delivery
A Bunker, T Róg
Frontiers in Molecular Biosciences 7, 604770, 2020
Effects of the lipid bilayer phase state on the water membrane interface
M Stepniewski, A Bunker, M Pasenkiewicz-Gierula, M Karttunen, T Róg
The Journal of Physical Chemistry B 114 (36), 11784-11792, 2010
PEGylated liposomes as carriers of hydrophobic porphyrins
M Dzieciuch, S Rissanen, N Szydłowska, A Bunker, M Kumorek, ...
The Journal of Physical Chemistry B 119 (22), 6646-6657, 2015
Strong preferences of dopamine and l‐dopa towards lipid head group: importance of lipid composition and implication for neurotransmitter metabolism
A Orłowski, M Grzybek, A Bunker, M Pasenkiewicz‐Gierula, I Vattulainen, ...
Journal of neurochemistry 122 (4), 681-690, 2012
Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase
K Kaszuba, T Róg, R Danne, P Canning, V Fülöp, T Juhász, Z Szeltner, ...
Biochimie 94 (6), 1398-1411, 2012
Study of interaction between PEG carrier and three relevant drug molecules: piroxicam, paclitaxel, and hematoporphyrin
YC Li, S Rissanen, M Stepniewski, O Cramariuc, T Róg, S Mirza, ...
The Journal of Physical Chemistry B 116 (24), 7334-7341, 2012
Interactions between chloramphenicol, carrier polymers, and bacteria–implications for designing electrospun drug delivery systems countering wound infection
L Preem, M Mahmoudzadeh, M Putrinš, A Meos, I Laidmäe, T Romann, ...
Molecular pharmaceutics 14 (12), 4417-4430, 2017
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