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Robert Vácha Research Group

Research Group Leader
Researcher ID
Phone: +420 54949 6846

Research areas

  • computer simulations of proteins, membranes, and their interactions
  • development and application of models ranging from all-atom to highly coarse-grained
  • Molecular Dynamics, Monte Carlo, free energy calculations, Hamiltonian Replica Exchange, enhanced sampling

Main objectives

  • investigation of the proteins sensitivity to the membrane composition and shape - cell organization,  protein activation and targeting
  • protein self-assembly - amyloid fibrils and virus capsids


Content of research

Our aim is to elucidate the key protein-membrane and protein-protein interactions that regulate cellular signaling, transport, and are the important part of our immune system. Change in these interactions can result in lethal diseases ranging from cancer to Alzheimer’s disease. In particular, we develop and apply multi-scale computer simulations (from highly coarse-grained to all-atom level) and theory to determine the relation between protein sequence and their assembly or preferred membrane composition and morphology, e.g. the aggregation of amyloid peptides enhanced or retarded by specific lipids. Such molecular information can be used to understand protein localization in cells, evaluate the risk of the diseases, develop new therapeutic peptides (antimicrobial peptides, sensors, target specific drug carriers), and suggest new treatment strategies (including lipid diet and altering lipid metabolism).

list / cards

Name and position



Miroslav Jurásek
PhD student
+420 54949 2524
Ivo Kabelka
PhD student
+420 54949 2524
Lukáš Sukeník
PhD student
+420 54949 2524
Robert Vácha, PhD.
Research Group Leader
+420 54949 6846
Francesco Luca Falginella
PhD student
+420 54949 8140
Tomáš Trnka
PhD student
+420 54949 2524
Tereza Králová
+420 54949 3651
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