MS22: Structure-Property Relationships via Charge Density Methods

  • Anna Krawczuk (Jagiellonian University, Poland)
  • Lilianna Checinska (Lodz University, Poland)
  • Date:     Monday, 19. August 2019
  • Time:    10:00 - 12:00
  • Venue:  HS33

Sub-atomic resolution crystallography has a major impact on the elucidation of structure-property relationships. Method advancements as well as applications to materials or drug design are supposed to be part of this MS.

10:00 MS22-01 'Pancake' Bonding - A Charge Density Perspective
Delia Haynes (University of Stellenbosch, South Africa) | Abstract preview
10:30 MS22-02 Elucidating the Mechanisms of Single Molecule Magnets using Diffraction Methods
Jacob Overgaard (Aarhus University, Denmark) | Abstract preview
11:00 MS22-03 Electron Densities of two Nonapetides from Invariom Application
Peter Luger (Free University Berlin, Germany) | Abstract preview
11:20 MS22-04 The Role of Electrostatic Interactions in IFIT Proteins Complexed with RNA with Different 5' End Predicted by the UBDB+EPMM Method 
Urszula Budniak (Department of Chemistry, CNBCh, University of Warsaw, Poland) | Abstract preview
11:40 MS22-05 Using Crystal Structure, an Improved Electrochemical Method and Computational DFT Studies to Understand the Medicinal Properties of Celastraceae Species of Plants
Francesco Caruso (Vassar College, United States of America) | Abstract preview