Computational Pharmaceutical Chemistry and Molecular Bioinformatics
06/22: Anchor peptides (APs) are biobased and biodegradable adhesion promoters to fix microgels containing plant protectants on leaves. To understand AP's adhesion properties, we present the first three-layered atomistic model of the surface of apple leaves and use it to compute free energy profiles of the adhesion and desorption of APs to and from that surface. Read more here.
05/22: Grants for computing time on JUWELS, Juelich Supercomputing Center, have been approved.