Cambridge Cheminformatics Network Meetings (CCNM)
Welcome! | Digital Science for Drug Discovery
Data Driven Drug Design
At Volkamer Lab, we develop methods at the interface between structural bioinformatics and cheminformatics, mostly applied in the context of computer-aided drug design with a focus on machine learning methods.
On one hand, we investigate structure-based methods for active site assessment, including binding site comparison , pharmacophore elucidation and off-target prediction; pocket-centric fragment-based design as well as deep learning enhanced virtual screening pipelines . Besides target-independent approaches, we focus our developments on kinases , one of the major classes of therapeutic targets. Recently, we started to extend our portfolio to identify novel anti-infectives.
Cambridge Cheminformatics Network Meetings (CCNM)
Welcome! | Digital Science for Drug Discovery