Biological Research with Electronic Structure Methods
Main list: EaStCHEM Colloquia
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
Theatre C, Purdie
October 17, 2018
From: 15h30 To: 16h30
University of St Andrews
The oldest university in Scotland, with international renown for both research and education of undergraduates and postgraduates.