Reactive Processes in Biologically Relevant Systems

Our main research interests concern reactive processes in biologically relevant systems. To this end a number of strategies can be pursued. One of them is the application of mixed quantum/classical (QM/MM) approaches where the interactions within one part (usually the smaller one) of the system are treated with ab initio or semiempirical methods and the other one (usually the larger one) is described by a force field.


Systems of interest include