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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.
Neutron scattering study of polyamorphic THF·17(H2O) - toward a generalized picture of amorphous states and structures derived from clathrate hydrates.
Brant Carvalho PHB, Ivanov M, Andersson O, Loerting T, Bauer M, Tulk CA, Haberl B, Daemen LL, Molaison JJ, Amann-Winkel K, Lyubartsev AP, Bull CL, Funnell NP, Häussermann U. Brant Carvalho PHB, et al. Among authors: lyubartsev ap. Phys Chem Chem Phys. 2023 May 31;25(21):14981-14991. doi: 10.1039/d3cp00539a. Phys Chem Chem Phys. 2023. PMID: 37211856
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.
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
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 …
112 results