SpaceLight on JCIM Cover

At the high-brilliance X-ray light source PETRA III of the Deutsches Elektronen Synchrotron, researchers were screening repurposing libraries for novel potentially safe inhibitors of the SARS-CoV-2 main protease. We, the research group AMD (Prof. Rarey), are honored to be part of the team searching...

The maximum common substructure (MCS) problem has many applications in science. In cheminformatics, it is used to detect molecules with common building blocks and scaffolds. So far, algorithms exist for the connected and disconnected variant of the MCS. We now develope an algorithm named RIMACS able...