kimmdy-examples

A list of KIMMDY setups, runs, analysis scripts and figures to go along with the manuscript.

• Introduction
• Emulated reaction dynamics correctly predict radical reactions in small molecules
• KIMMDY yields reaction pathways for protein radicals
• KIMMDY can model competing reactions in biologically relevant systems
• KIMMDY reveals unexpectedly low quantum yields in DNA origami motifs
• Validation of KIMMDY predictions with QM and EPR experiments

Other assets:

• assets