MacroMolecular Modeling (MaMoMo)

group of Dr. Peter Košovan

Molecular simulations and theoretical modeling of charged macromolecules - peptides, proteins or synthetic polymers. Combining modelling with accurate experiments to obtain  physical insights

People of the Group

Peter Košovan

Doc. RNDr., Ph.D.

Associate Professor

Magdaléna Nejedlá

Mgr.

Doctoral student

Ipsita Padhee

M.Sc.

Doctoral student

Vojtěch Keprta

Bc.

Master student

Jakub Krieger

Bc.

Master student

Eliška Stančíková

Bachelor student

Raju Lunkad

Ph.D.,

Postdoc at University of Gottingen (next affiliation)

Pablo M. Blanco Andrés

Ph.D.

Assistant professor at University of Lleida (next affiliation)

Sebastian Pineda Pineda

Ph.D.

Postdoc at University of Lund, Sweden (next affiliation)

Research Topics

Modeling of polyelectrolytes

  • Polyelectrolyte solutions and gels
  • Coarse-grained simulations
  • Mean-field and Poisson-Boltzmann modeling
  • pH-dependent properties
  • Collaborators: Christian Holm (Stuttgart)
     

Polyelectrolyte complexes and coacervates

  • Coarse-grained simulations and phenomenological theories
  • Thermodynamic conditions of liquid-liquid phase separation and two-phase coexistence
  • Partitioning of low-molecular solutes
  • Acid-base equilibria
  • Collaborators: Roman Staňo (Vienna), Saskia Lindhoud (Twente)

Concentrated solutions of proteins and charged patchy colloids

  • Phase stability of protein and colloidal solutions at high concentrations
  • Donnan equilibrium
  • Charge distribution and charge patchiness
  • Charge regulation and acid-base equilibria
  • Collaborators: Pablo Blanco, Rita Dias (Trondheim)

Selected Publications