Simón Poblete
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RNA structural dynamics as captured by molecular simulations: a comprehensive overview
J Sponer, G Bussi, M Krepl, P Banáš, S Bottaro, RA Cunha, A Gil-Ley, ...
Chemical reviews 118 (8), 4177-4338, 2018
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
S Fritsch, S Poblete, C Junghans, G Ciccotti, L Delle Site, K Kremer
Physical review letters 108 (17), 170602, 2012
Coupling different levels of resolution in molecular simulations
S Poblete, M Praprotnik, K Kremer, L Delle Site
The Journal of chemical physics 132 (11), 114101, 2010
Hydrodynamics of discrete-particle models of spherical colloids: A multiparticle collision dynamics simulation study
S Poblete, A Wysocki, G Gompper, RG Winkler
Physical Review E 90 (3), 033314, 2014
Statistical physics problems in adaptive resolution computer simulations of complex fluids
M Praprotnik, S Poblete, K Kremer
Journal of Statistical Physics 145, 946-966, 2011
Comment on “Adaptive multiscale molecular dynamics of macromolecular fluids”
M Praprotnik, S Poblete, L Delle Site, K Kremer
Physical review letters 107 (9), 099801, 2011
Inter-dye distance distributions studied by a combination of single-molecule FRET-filtered lifetime measurements and a weighted accessible volume (wAV) algorithm
H Höfig, M Gabba, S Poblete, D Kempe, J Fitter
Molecules 19 (12), 19269-19291, 2014
A nucleobase-centered coarse-grained representation for structure prediction of RNA motifs
S Poblete, S Bottaro, G Bussi
Nucleic acids research 46 (4), 1674-1683, 2018
Conformational state distributions and catalytically relevant dynamics of a hinge-bending enzyme studied by single-molecule FRET and a coarse-grained simulation
M Gabba, S Poblete, T Rosenkranz, A Katranidis, D Kempe, T Züchner, ...
Biophysical journal 107 (8), 1913-1923, 2014
A reference implementation of the adaptive resolution scheme in ESPResSo
C Junghans, S Poblete
Computer Physics Communications 181 (8), 1449-1454, 2010
Structure and dynamics of a compact state of a multidomain protein, the mercuric ion reductase
L Hong, MA Sharp, S Poblete, R Biehl, M Zamponi, N Szekely, ...
Biophysical journal 107 (2), 393-400, 2014
Static and dynamic light scattering by red blood cells: A numerical study
J Mauer, M Peltomäki, S Poblete, G Gompper, DA Fedosov
PLoS One 12 (5), e0176799, 2017
Single-molecule FRET measurements in additive-enriched aqueous solutions
D Kempe, M Cerminara, S Poblete, A Schöne, M Gabba, J Fitter
Analytical chemistry 89 (1), 694-702, 2017
Structural 3d domain reconstruction of the rna genome from viruses with secondary structure models
S Poblete, HV Guzman
Viruses 13 (8), 1555, 2021
Effects and limitations of a nucleobase-driven backmapping procedure for nucleic acids using steered molecular dynamics
S Poblete, S Bottaro, G Bussi
Biochemical and biophysical research communications 498 (2), 352-358, 2018
Characterization of the melting transition in two dimensions at vanishing external pressure using molecular dynamics simulations
D Asenjo, F Lund, S Poblete, R Soto, M Sotomayor
Physical Review B 83 (17), 174110, 2011
RNA Secondary Structures Regulate Adsorption of Fragments onto Flat Substrates
S Poblete, A Bozic, M Kanduc, R Podgornik, HV Guzman
ACS omega 6 (48), 32823-32831, 2021
Brief Comparison between Experimental and Computationally Generated Ensembles of RNA Dinucleotides
S Poblete, T Pérez-Acle
Journal of Chemical Information and Modeling 60 (2), 989-994, 2019
A nucleobase-centric coarse-grained model for structure prediction of RNA fragments
S Poblete, S Bottaro, G Bussi
Biophysical Journal 108 (2), 235a, 2015
Thermodynamic concepts in adaptive resolution simulations
S Poblete
Johannes Gutenberg-Universität Mainz, 2010
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