Pablo Miguel Blanco Andres
About
I focus my research on pH-dependent systems, including polyelectrolytes, peptides and proteins. I am expert on computational modelling, which I use to study those systems on a fundamental level. I am also interested on developing new software for molecular simulations and I am currently part of the development team of ESPResSo, a software for molecular dynamics for coarse-grained systems. Currently, I work as Marie Skłodowska-Curie postdoctoral fellow in the project ModEMUS, which aims to model nanoparticle transport under ultrasound irradiation through the extracellular matrix.
Publications
Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes
This article reviews the state of the art of the studies on charge regulation (CR) effects in flexible weak polyelectrolytes.
Adsorption of flexible proteins in the ‘wrong side’of the isoelectric point: Casein macropeptide as a model system
We analyze the conditions of the adsorption of a flexible peptide onto a charged substrate in the ‘wrong side’ of the isoelectric point (WSIP), i.e. when surface and peptide charges have the same sign.
Anionically Functionalized Glycogen Encapsulates Melittin by Multivalent Interaction
We developed acid-functionalized glycogen conjugates as supramolecular carriers for efficient encapsulation and inhibition of a model cationic peptide melittin─the main component of honeybee venom.
Polyelectrolyte-nanoparticle mutual charge regulation and its influence on their complexation
The complexation between a charged nanoparticle and an oppositely charged linear polyelectrolyte in presence and absence of charge regulation is sistematically studied using coarse-grained constant pH simulations.
Influence of macromolecular crowding on the charge regulation of intrinsically disordered proteins
We study a possible charge regulation in two IDPs, histatin-5 and β-amyloid 42, triggered by the presence of neutral and charged crowders.
Effect of charge regulation and conformational equilibria in the stretching properties of weak polyelectrolytes
In this paper, the influence of CR in the stretching properties of weak polyelectrolytes is analyzed, and the possibility of CR induced by mechanical stretching is explored.
Blanco, P. M., Narambuena, C. F., Madurga, S., Mas, F., & Garcés, J. L. (2023). Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes. Polymers, 15(12), 2680.
Košovan, P., Landsgesell, J., Nová, L., Uhlík, F., Beyer, D., Blanco, P. M., ... & Holm, C. (2023). Reply to the ‘Comment on “Simulations of ionization equilibria in weak polyelectrolyte solutions and gels”’by J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm and P. Košovan, Soft Matter, 2019, 15, 1155–1185. Soft Matter, 19(19), 3522-3525.
Weeber, R., Grad, J. N., Beyer, D., Blanco, P. M., Kreissl, P., Reinauer, A., ... & Holm, C. (2023). ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems.
Torres, P. B., Blanco, P. M., Garcés, J. L., & Narambuena, C. F. (2022). The electrostatic potential inside and around α-lactalbumin: Fluctuations and mean-field models. The Journal of Chemical Physics, 157(20).
Blanco, P. M., Achetoni, M. M., Garcés, J. L., Madurga, S., Mas, F., Baieli, M. F., & Narambuena, C. F. (2022). Adsorption of flexible proteins in the ‘wrong side’of the isoelectric point: Casein macropeptide as a model system. Colloids and Surfaces B: Biointerfaces, 217, 112617.
Lunkad, R., Biehl, P., Murmiliuk, A., Blanco, P. M., Mons, P., Stepanek, M., ... & Košovan, P. (2022). Simulations and Potentiometric Titrations Enable Reliable Determination of Effective p K a Values of Various Polyzwitterions. Macromolecules, 55(17), 7775-7784.
Zhukouskaya, H., Blanco, P. M., Černochová, Z., Čtveráčková, L., Staňo, R., Pavlova, E., ... & Pánek, J. (2022). Anionically Functionalized Glycogen Encapsulates Melittin by Multivalent Interaction. Biomacromolecules, 23(8), 3371-3382.
Stornes, M., Blanco, P. M., & Dias, R. S. (2021). Polyelectrolyte-nanoparticle mutual charge regulation and its influence on their complexation. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 628, 127258.
Blanco, P. M., Madurga, S., Garcés, J. L., Mas, F., & Dias, R. S. (2021). Influence of macromolecular crowding on the charge regulation of intrinsically disordered proteins. Soft Matter, 17(3), 655-669.
Narambuena, C. F., Blanco, P. M., Rodriguez, A., Rodriguez, D. E., Madurga, S., Garcés, J. L., & Mas, F. (2021). Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation study. Polymer, 212, 123170.
Blanco, P. M., Madurga, S., Narambuena, C. F., Mas, F., & Garcés, J. L. (2019). Role of charge regulation and fluctuations in the conformational and mechanical properties of weak flexible polyelectrolytes. Polymers, 11(12), 1962.
Blanco, P. M., Madurga, S., Mas, F., & Garcés, J. L. (2019). Effect of charge regulation and conformational equilibria in the stretching properties of weak polyelectrolytes. Macromolecules, 52(21), 8017-8031.
Blanco, Pablo M., et al. "Coupling of charge regulation and conformational equilibria in linear weak polyelectrolytes: Treatment of long-range interactions via effective short-ranged and pH-dependent interaction parameters." Polymers 10.8 (2018): 811.
Blanco, P. M., Garcés, J. L., Madurga, S., & Mas, F. (2018). Macromolecular diffusion in crowded media beyond the hard-sphere model. Soft Matter, 14(16), 3105-3114.
Blanco, P. M., Via, M., Garcés, J. L., Madurga, S., & Mas, F. (2017). Brownian dynamics computational model of protein diffusion in crowded media with dextran macromolecules as obstacles. Entropy, 19(3), 105.
2024
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Naranjo, David;
Blanco Andres, Pablo Miguel;
Garcés, Josep L.;
Madurga, Sergio;
Mas, Francesc.
(2024)
Constant-pH Simulations of a Coarse-Grained Model of Polyfunctional Weak Charged Biopolymers.
Biophysica
Academic article
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Pineda, Sebastian P.;
Staňo, Roman;
Murmiliuk, Anastasiia;
Blanco Andres, Pablo Miguel;
Montes, Patricia;
Tošner, Zdeněk.
(2024)
Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes.
JACS Au
Academic article
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Beyer, David;
Torres, Paola B.;
Pineda, Sebastian P.;
Narambuena, Claudio F.;
Grad, Jean-Noël;
Košovan, Peter.
(2024)
pyMBE: The Python-based molecule builder for ESPResSo.
Journal of Chemical Physics
Academic article
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Blanco Andres, Pablo Miguel;
Košovan, Peter.
(2024)
The explicit bonding reaction ensemble Monte Carlo method.
Journal of Chemical Physics
Academic article
Journal publications
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Naranjo, David;
Blanco Andres, Pablo Miguel;
Garcés, Josep L.;
Madurga, Sergio;
Mas, Francesc.
(2024)
Constant-pH Simulations of a Coarse-Grained Model of Polyfunctional Weak Charged Biopolymers.
Biophysica
Academic article
-
Pineda, Sebastian P.;
Staňo, Roman;
Murmiliuk, Anastasiia;
Blanco Andres, Pablo Miguel;
Montes, Patricia;
Tošner, Zdeněk.
(2024)
Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes.
JACS Au
Academic article
-
Beyer, David;
Torres, Paola B.;
Pineda, Sebastian P.;
Narambuena, Claudio F.;
Grad, Jean-Noël;
Košovan, Peter.
(2024)
pyMBE: The Python-based molecule builder for ESPResSo.
Journal of Chemical Physics
Academic article
-
Blanco Andres, Pablo Miguel;
Košovan, Peter.
(2024)
The explicit bonding reaction ensemble Monte Carlo method.
Journal of Chemical Physics
Academic article