Journal Articles by P. Košovan
S. P. Pineda,
P. M. Blanco,
R. Staňo and
P. Košovan
Patchy Charge Distribution Affects the pH in Protein Solutions during Dialysis
Patchy Charge Distribution Affects the pH in Protein Solutions during Dialysis
Langmuir,
41(8),
2025
D. Beyer,
P. M. Blanco,
J. Landsgesell,
P. Košovan and
C. Holm
How To Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations
How To Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations
Journal of Chemical Theory and Computation,
21(3),
2025
P. M. Blanco and
P. Košovan
The explicit bonding reaction ensemble Monte Carlo method
The explicit bonding reaction ensemble Monte Carlo method
The Journal of Chemical Physics,
161(9),
2024
D. Beyer,
P. B. Torres,
S. P. Pineda,
C. F. Narambuena,
J.-N. Grad,
P. Košovan and
P. M. Blanco
pyMBE: The Python-based molecule builder for ESPResSo
pyMBE: The Python-based molecule builder for ESPResSo
The Journal of Chemical Physics,
161(2),
2024
S. P. Pineda,
R. Staňo,
A. Murmiliuk,
P. M. Blanco,
P. Montes,
Z. Tošner,
O. Groborz,
J. Pánek
et al.
Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes
Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes
JACS Au,
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
Sequestration of Small Ions and Weak Acids and Bases by a Polyelectrolyte Complex Studied by Simulation and Experiment
Macromolecules,
57(3),
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”
Correction to “Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning”
Macromolecules,
55(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
The pH-Dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution
Macromolecules,
55(8),
2022
A. Murmiliuk,
S. K. Filippov,
O. Rud,
P. Košovan,
Z. Tošner,
A. Radulescu,
A. Skandalis,
S. Pispas
et al.
Reversible multilayered vesicle-like structures with fluid hydrophobic and interpolyelectrolyte layers
Elsevier BV, 2021
Reversible multilayered vesicle-like structures with fluid hydrophobic and interpolyelectrolyte layers
Elsevier BV, 2021
A. Murmiliuk,
S. K. Filippov,
O. Rud,
P. Košovan,
Z. Tošner,
A. Radulescu,
A. Skandalis,
S. Pispas
et al.
Reversible multilayered vesicle-like structures with fluid hydrophobic and interpolyelectrolyte layers
Reversible multilayered vesicle-like structures with fluid hydrophobic and interpolyelectrolyte layers
Journal of Colloid and Interface Science,
599,
2021
O. V. Rud,
J. Landsgesell,
C. Holm and
P. Košovan
Modeling of weak polyelectrolyte hydrogels under compression - Implications for water desalination
Modeling of weak polyelectrolyte hydrogels under compression - Implications for water desalination
Desalination,
506,
2021
R. Staňo,
P. Košovan,
A. Tagliabue and
C. Holm
Electrostatically Cross-Linked Reversible Gels—Effects of pH and Ionic Strength
Electrostatically Cross-Linked Reversible Gels—Effects of pH and Ionic Strength
Macromolecules,
54,
2021
R. Lunkad,
A. Murmiliuk,
Z. Tošner,
M. Štěpánek and
P. Košovan
Role of pKA in Charge Regulation and Conformation of Various Peptide Sequences
Role of pKA in Charge Regulation and Conformation of Various Peptide Sequences
Polymers,
13(2),
214,
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), 2021
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), 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), 2021
Quantitative prediction of charge regulation in oligopeptides
Royal Society of Chemistry (RSC), 2021
R. Lunkad,
A. Murmiliuk,
P. Hebbeker,
M. Boublík,
Z. Tošner,
M. Štěpánek and
P. Košovan
Quantitative prediction of charge regulation in oligopeptides
Quantitative prediction of charge regulation in oligopeptides
Molecular Systems Design & Engineering,
6,
122-131,
2020
R. Lunkad,
A. Murmiliuk,
P. Hebbeker,
M. Boublík,
Z. Tošner,
M. Štěpánek and
P. Košovan
Quantitative prediction of charge regulation in oligopeptides
Quantitative prediction of charge regulation in oligopeptides
Molecular Systems Design & Engineering,
6,
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
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,
17,
580-591,
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
Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning
Macromolecules,
53(8),
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), 2020
Multivalent counterions accumulate in star-like polyelectrolytes and collapse the polymer in spite of increasing its ionization
Royal Society of Chemistry (RSC), 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
Interactions of star-like polyelectrolyte micelles with hydrophobic counterions
Journal of Colloid and Interface Science,
546,
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
Simulations of ionization equilibria in weak polyelectrolyte solutions and gels
Soft Matter,
15(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
Simulations of ionization equilibria in weak polyelectrolyte solutions and gels
Soft Matter,
15(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
Simulations of ionization equilibria in weak polyelectrolyte solutions and gels
Soft Matter,
15(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?
Local pH and Effective pK of a Polyelectrolyte Chain: Two Names for One Quantity?
ACS Macro Letters,
7(10),
2018
T. Richter,
J. Landsgesell,
P. Košovan and
C. Holm
On the efficiency of a hydrogel-based desalination cycle
On the efficiency of a hydrogel-based desalination cycle
Desalination,
414,
2017
O. Rud,
T. Richter,
O. Borisov,
C. Holm and
P. Košovan
A self-consistent mean-field model for polyelectrolyte gels
A self-consistent mean-field model for polyelectrolyte gels
Soft Matter,
13(18),
2017
L. Nová,
F. Uhlík and
P. Košovan
Local pH and effective pK A of weak polyelectrolytes – insights from computer simulations
Local pH and effective pK A of weak polyelectrolytes – insights from computer simulations
Physical Chemistry Chemical Physics,
19(22),
2017
L. Nová,
F. Uhlík and
P. Košovan
Local pH and effective pK A of weak polyelectrolytes – insights from computer simulations
Local pH and effective pK A of weak polyelectrolytes – insights from computer simulations
Physical Chemistry Chemical Physics,
19(22),
2017
O. Rud,
T. Richter,
O. Borisov,
C. Holm and
P. Košovan
A self-consistent mean-field model for polyelectrolyte gels
A self-consistent mean-field model for polyelectrolyte gels
Soft Matter,
13(18),
2017
P. Košovan,
T. Richter and
C. Holm
Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions
Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions
Macromolecules,
48(20),
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
Modeling of Ionization and Conformations of Starlike Weak Polyelectrolytes
Macromolecules,
47(12),
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
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,
22(1),
2012
Book Chapters
R. Weeber,
J.-N. Grad,
D. Beyer,
P. M. Blanco,
P. Kreissl,
A. Reinauer,
I. Tischler,
P. Košovan
et al.
ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems
Comprehensive Computational Chemistry, Elsevier, 2024, ISBN 9780128232569
ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems
Comprehensive Computational Chemistry, Elsevier, 2024, ISBN 9780128232569