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Effective macroion-macroion potentials in asymmetric electrolytes.
Lobaskin V, Lyubartsev A, Linse P. Lobaskin V, et al. Among authors: lyubartsev a. Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Feb;63(2 Pt 1):020401. doi: 10.1103/PhysRevE.63.020401. Epub 2001 Jan 9. Phys Rev E Stat Nonlin Soft Matter Phys. 2001. PMID: 11308458
Effective macroion-macroion potentials in solutions of macroions carrying 60 elementary charges and either monovalent or divalent counterions have been calculated at different concentrations by means of Monte Carlo simulations with a consequent inversion of radial distribu …
Effective macroion-macroion potentials in solutions of macroions carrying 60 elementary charges and either monovalent or divalent counterion …
First principles characterisation of bio-nano interface.
Rouse I, Power D, Brandt EG, Schneemilch M, Kotsis K, Quirke N, Lyubartsev AP, Lobaskin V. Rouse I, et al. Phys Chem Chem Phys. 2021 Jun 23;23(24):13473-13482. doi: 10.1039/d1cp01116b. Phys Chem Chem Phys. 2021. PMID: 34109956
Multiscale Modelling of Bionano Interface.
Lopez H, Brandt EG, Mirzoev A, Zhurkin D, Lyubartsev A, Lobaskin V. Lopez H, et al. Among authors: lyubartsev a. Adv Exp Med Biol. 2017;947:173-206. doi: 10.1007/978-3-319-47754-1_7. Adv Exp Med Biol. 2017. PMID: 28168669 Review.
Prediction of Chronic Inflammation for Inhaled Particles: the Impact of Material Cycling and Quarantining in the Lung Epithelium.
Kokot H, Kokot B, Sebastijanović A, Voss C, Podlipec R, Zawilska P, Berthing T, Ballester-López C, Danielsen PH, Contini C, Ivanov M, Krišelj A, Čotar P, Zhou Q, Ponti J, Zhernovkov V, Schneemilch M, Doumandji Z, Pušnik M, Umek P, Pajk S, Joubert O, Schmid O, Urbančič I, Irmler M, Beckers J, Lobaskin V, Halappanavar S, Quirke N, Lyubartsev AP, Vogel U, Koklič T, Stoeger T, Štrancar J. Kokot H, et al. Among authors: lyubartsev ap. Adv Mater. 2020 Nov;32(47):e2003913. doi: 10.1002/adma.202003913. Epub 2020 Oct 19. Adv Mater. 2020. PMID: 33073368
NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment.
Afantitis A, Melagraki G, Isigonis P, Tsoumanis A, Varsou DD, Valsami-Jones E, Papadiamantis A, Ellis LA, Sarimveis H, Doganis P, Karatzas P, Tsiros P, Liampa I, Lobaskin V, Greco D, Serra A, Kinaret PAS, Saarimäki LA, Grafström R, Kohonen P, Nymark P, Willighagen E, Puzyn T, Rybinska-Fryca A, Lyubartsev A, Alstrup Jensen K, Brandenburg JG, Lofts S, Svendsen C, Harrison S, Maier D, Tamm K, Jänes J, Sikk L, Dusinska M, Longhin E, Rundén-Pran E, Mariussen E, El Yamani N, Unger W, Radnik J, Tropsha A, Cohen Y, Leszczynski J, Ogilvie Hendren C, Wiesner M, Winkler D, Suzuki N, Yoon TH, Choi JS, Sanabria N, Gulumian M, Lynch I. Afantitis A, et al. Among authors: lyubartsev a. Comput Struct Biotechnol J. 2020 Mar 7;18:583-602. doi: 10.1016/j.csbj.2020.02.023. eCollection 2020. Comput Struct Biotechnol J. 2020. PMID: 32226594 Free PMC article. Review.
Systematic hierarchical coarse-graining with the inverse Monte Carlo method.
Lyubartsev AP, Naômé A, Vercauteren DP, Laaksonen A. Lyubartsev AP, et al. J Chem Phys. 2015 Dec 28;143(24):243120. doi: 10.1063/1.4934095. J Chem Phys. 2015. PMID: 26723605
The effective potentials are obtained by applying the inverse Monte Carlo (IMC) method [A. P. Lyubartsev and A. Laaksonen, Phys. Rev. E 52(4), 3730-3737 (1995)] on a chosen subset of degrees of freedom described in terms of radial distribution function …
The effective potentials are obtained by applying the inverse Monte Carlo (IMC) method [A. P. Lyubartsev and A. Laakson …
Multiscale modelling of nucleosome core particle aggregation.
Lyubartsev AP, Korolev N, Fan Y, Nordenskiöld L. Lyubartsev AP, et al. J Phys Condens Matter. 2015 Feb 18;27(6):064111. doi: 10.1088/0953-8984/27/6/064111. Epub 2015 Jan 7. J Phys Condens Matter. 2015. PMID: 25563982
112 results