BSc theses

BSc theses in Department of Theoretical Chemistry

Laboratory of Quantum Chemistry:

  • Determination of physicochemical properties of superhalides
  • Determination of physicochemical properties of superalkali
  • Evaluation of electron stability of different types of anions
  • Designing new superhalides, superalkali and supersalts

 

Laboratory of Molecular Modelling:

  • Coarse-grained simulations of protein and nucleic acid coiling thermodynamics
  • Simulation studies of the influence of midfield electrostatic and local effects on the structure of proteins
  • Structure studies of biologically active peptides by physical methods (including NMR aided by molecular modelling) in relation to their biological activities
  • Molecular modeling of the receptor-ligand interactions

 

Laboratory of Simulation of Polymers:

  • Theoretical prediction of physico-chemical properties for ionic liquids
  • Theoretical prediction of polymer film structure and physico-chemical properties for polymers of the parylene family
  • Activity structure relationship study for GPCR or HtrA
  • Theoretical prediction of the structure of proteins, nucleic acids or sugar polymers
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Submitted on Friday, 7. March 2014 - 11:40 by Magdalena Ślusarz Changed on Wednesday, 19. April 2023 - 15:02 by Magdalena Ślusarz