S. P. Pineda, R. Staňo, A. Murmiliuk, P. M. Blanco, P. Montes, Z. Tošner, O. Groborz, J. Pánek, M. Hrubý, M. Štěpánek, and P. Košovan. Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes. JACS Au, American Chemical Society (ACS), March 2024.

R. Staňo, J. J. van Lente, S. Lindhoud, and P. Košovan. Sequestration of Small Ions and Weak Acids and Bases by a Polyelectrolyte Complex Studied by Simulation and Experiment. Macromolecules, American Chemical Society (ACS), volume 57, issue 3, January 2024.

R. Weeber, J.-N. Grad, D. Beyer, P. M. Blanco, P. Kreissl, A. Reinauer, I. Tischler, P. Košovan, and C. Holm. ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems. Comprehensive Computational Chemistry, Elsevier, 2024.

D. Beyer, J. Landsgesell, P. Hebbeker, O. Rud, R. Lunkad, P. Košovan, and C. Holm. Correction to “Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning”. Macromolecules, volume 55, issue 3, 2022.

J. Landsgesell, D. Beyer, P. Hebbeker, P. Košovan, and C. Holm. The pH-Dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution. Macromolecules, volume 55, issue 8, 2022.

A. Murmiliuk, S. K. Filippov, O. Rud, P. Košovan, Z. Tošner, A. Radulescu, A. Skandalis, S. Pispas, M. Šlouf, and M. Štěpánek. Reversible multilayered vesicle-like structures with fluid hydrophobic and interpolyelectrolyte layers. Elsevier BV, volume 599, October 2021.

A. Murmiliuk, S. K. Filippov, O. Rud, P. Košovan, Z. Tošner, A. Radulescu, A. Skandalis, S. Pispas, M. Šlouf, and M. Štěpánek. Reversible multilayered vesicle-like structures with fluid hydrophobic and interpolyelectrolyte layers. Journal of Colloid and Interface Science, Elsevier BV, volume 599, October 2021.

O. V. Rud, J. Landsgesell, C. Holm, and P. Košovan. Modeling of weak polyelectrolyte hydrogels under compression - Implications for water desalination. Desalination, Elsevier BV, volume 506, June 2021.

R. Staňo, P. Košovan, A. Tagliabue, and C. Holm. Electrostatically Cross-Linked Reversible Gels—Effects of pH and Ionic Strength. Macromolecules, volume 54, May 2021.

R. Lunkad, A. Murmiliuk, Z. Tošner, M. Štěpánek, and P. Košovan. Role of pKA in Charge Regulation and Conformation of Various Peptide Sequences. Polymers, volume 13, issue 2, pages 214, January 2021.

A. D. Kazakov, V. M. Prokacheva, F. Uhlík, P. Košovan, and F. A. M. Leermakers. Computer modeling of polymer stars in variable solvent conditions: a comparison of {MD} simulations, self-consistent field ({SCF}) modeling and novel hybrid Monte Carlo {SCF} approach. Royal Society of Chemistry (RSC), volume 17, issue 3, 2021.

R. Lunkad, A. Murmiliuk, P. Hebbeker, M. Boublík, Z. Tošner, M. Štěpánek, and P. Košovan. Quantitative prediction of charge regulation in oligopeptides. Royal Society of Chemistry (RSC), volume 6, issue 2, 2021.

R. Lunkad, A. Murmiliuk, P. Hebbeker, M. Boublík, Z. Tošner, M. Štěpánek, and P. Košovan. Quantitative prediction of charge regulation in oligopeptides. Molecular Systems Design & Engineering, volume 6, pages 122-131, November 2020.

R. Lunkad, A. Murmiliuk, P. Hebbeker, M. Boublík, Z. Tošner, M. Štěpánek, and P. Košovan. Quantitative prediction of charge regulation in oligopeptides. Molecular Systems Design & Engineering, volume 6, November 2020.

A. D. Kazakov, V. M. Prokacheva, F. Uhlík, P. Košovan, and F. A. M. Leermakers. Computer modeling of polymer stars in variable solvent conditions: a comparison of MD simulations, self-consistent field (SCF) modeling and novel hybrid Monte Carlo SCF approach. Soft Matter, volume 17, pages 580-591, October 2020.

J. Landsgesell, P. Hebbeker, O. Rud, R. Lunkad, P. Košovan, and C. Holm. Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning. Macromolecules, American Chemical Society (ACS), volume 53, issue 8, April 2020.

R. Staňo, L. Nová, F. Uhlík, and P. Košovan. Multivalent counterions accumulate in star-like polyelectrolytes and collapse the polymer in spite of increasing its ionization. Royal Society of Chemistry (RSC), volume 16, issue 4, 2020.

R. Fernandez-Alvarez, L. Nová, F. Uhlík, S. Kereïche, M. Uchman, P. Košovan, and P. Matějíček. Interactions of star-like polyelectrolyte micelles with hydrophobic counterions. Journal of Colloid and Interface Science, Elsevier BV, volume 546, June 2019.

J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm, and P. Košovan. Simulations of ionization equilibria in weak polyelectrolyte solutions and gels. Soft Matter, Royal Society of Chemistry (RSC), volume 15, issue 6, 2019.

J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm, and P. Košovan. Simulations of ionization equilibria in weak polyelectrolyte solutions and gels. Soft Matter, Royal Society of Chemistry (RSC), volume 15, issue 6, 2019.

J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm, and P. Košovan. Simulations of ionization equilibria in weak polyelectrolyte solutions and gels. Soft Matter, Royal Society of Chemistry (RSC), volume 15, issue 6, 2019.

A. Murmiliuk, P. Košovan, M. Janata, K. Procházka, F. Uhlík, and M. Štěpánek. Local pH and Effective pK of a Polyelectrolyte Chain: Two Names for One Quantity? ACS Macro Letters, American Chemical Society (ACS), volume 7, issue 10, September 2018.

T. Richter, J. Landsgesell, P. Košovan, and C. Holm. On the efficiency of a hydrogel-based desalination cycle. Desalination, Elsevier BV, volume 414, July 2017.

O. Rud, T. Richter, O. Borisov, C. Holm, and P. Košovan. A self-consistent mean-field model for polyelectrolyte gels. Soft Matter, Royal Society of Chemistry (RSC), volume 13, issue 18, 2017.

L. Nová, F. Uhlík, and P. Košovan. Local pH and effective pK A of weak polyelectrolytes – insights from computer simulations. Physical Chemistry Chemical Physics, volume 19, issue 22, 2017.

L. Nová, F. Uhlík, and P. Košovan. Local pH and effective pK A of weak polyelectrolytes – insights from computer simulations. Physical Chemistry Chemical Physics, volume 19, issue 22, 2017.

O. Rud, T. Richter, O. Borisov, C. Holm, and P. Košovan. A self-consistent mean-field model for polyelectrolyte gels. Soft Matter, volume 13, issue 18, 2017.

P. Košovan, T. Richter, and C. Holm. Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions. Macromolecules, volume 48, issue 20, October 2015.

F. Uhlík, P. Košovan, Z. Limpouchová, K. Procházka, O. V. Borisov, and F. A. M. Leermakers. Modeling of Ionization and Conformations of Starlike Weak Polyelectrolytes. Macromolecules, American Chemical Society (ACS), volume 47, issue 12, June 2014.

J. Kuldová, P. Košovan, Z. Limpouchová, and K. Procházka. Computer Study of the Association Behavior of Gradient Copolymers: Analysis of Simulation Results Based on a New Algorithm for Recognition and Classification of Aggregates. Macromolecular Theory and Simulations, Wiley, volume 22, issue 1, December 2012.

Z. Preisler, P. Košovan, J. Kuldová, F. Uhlík, Z. Limpouchová, K. Procházka, and F. A. M. Leermakers. Depletion profiles for dilute solutions of linear chains, stars and H-branched molecules by self-consistent field calculations and Monte Carlo simulations. Soft Matter, Royal Society of Chemistry (RSC), volume 7, issue 21, 2011.