Seminar by Prof. Pascal Auffinger, Architecture et Réactivité de l’ARN, Université de Strasbourg, France on "Tales on Mg2+ binding to RNA and other modeling stories"

15 Nov 2019
Seminar Room #350
Talk Title: "Tales on Mg2+ binding to RNA and other modeling stories"
Abstract
Molecular dynamics (MD) simulations of biological systems have been for long at the heart of my scientific activity. If molecular dynamics tools are very enticing, it is, like for any other scientific activity, necessary to follow certain common-sense rules and to be aware that simulations are only as good as our knowledge of the structure of the systems we intend to study. I will present several examples describing the necessity to expand such knowledge when dealing with common and not so common biomolecular systems, including the binding of Mg2+ to nucleic acids that is often largely overestimated, the occurrence of very short hydrogen bonds, and a story related to the understanding of a very puzzling lone pair- interaction in Z-DNA.