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 | 325 | 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 | 215 | 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 | 201 | 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 | 127 | 2011 |
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 | 126 | 2016 |
Fast spin dynamics algorithms for classical spin systems M Krech, A Bunker, DP Landau Computer physics communications 111 (1-3), 1-13, 1998 | 116 | 1998 |
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 | 99 | 2017 |
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 | 97 | 2016 |
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 | 92 | 2012 |
Mechanistic understanding from molecular dynamics simulation in pharmaceutical research 1: drug delivery A Bunker, T Róg Frontiers in Molecular Biosciences 7, 604770, 2020 | 83 | 2020 |
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 | 77 | 2012 |
Parallel excluded volume tempering for polymer melts A Bunker, B Dünweg Physical Review E 63 (1), 016701, 2000 | 77 | 2000 |
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 | 75 | 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 | 73 | 2007 |
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 | 64 | 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 | 61 | 2015 |
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 | 59 | 2012 |
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 | 58 | 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 | 57 | 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 | 53 | 2017 |