Biological Research with Electronic Structure Methods

Main list: EaStCHEM Colloquia

Abstract

Tanja van Mourik
St Andrews
Biological Research with Electronic Structure Methods
In my research I use electronic structure methods (density functional theory and ab initio methods) to study molecules of biological interest. In this presentation I focus on three different topics; (1) a small dipeptide, the study of which started off as a search for the most stable conformer, but turned into an investigation of methodological accuracy; (2) stacking of DNA bases, either isolated or as part of nucleotides; and (3) halogen bonding, a special case of intermolecular interaction.
Download PDF

  • Venue

    Theatre C, Purdie

  • Date

    October 17, 2018

  • Time

    From: 15h30 To: 16h30

  • Sponsor

    University of St Andrews
    The oldest university in Scotland, with international renown for both research and education of undergraduates and postgraduates.

Go Back

Viewed: 1432 time(s)