Pharmaceutical Research

anterio performs research in the field of molecular modelling including computer-aided drug design (CADD). We collaborate with our partners in chemistry, biology and pharmacology to support therapeutic research projects in various phases of preclinical discovery (virtual screening, hit-to-lead and lead optimisation programmes) by applying structure- and ligand-based design technologies. Our goals are:

rational design of bioactive compounds
engineering of synthetic and biological receptors with desired properties

We have a comprehensive state-of-the-art scientific software package from Schrödinger covering

quantum mechanics
molecular mechanics
molecular dynamics
homology modelling
docking
induced-fit docking
virtual library design
QM/MM
ADME/Tox