Structural cheminformatics workshop for GPCR Consortium
Marton Vass and Chris de Graaf gave a workshop on GPCR structural cheminformatics, including several of the 3D-e-Chem tools, workflows, and 3D-e-Chem Virtual Machine to academic and industry participants of the GPCR Consortium at ShanghaiTech University on 3 November 2016. The workshop covered amongst others lectures, demos, and hands-on practicals in the application of bioactivity annotation, mutation mapping and ligand repurposing workflows for GPCR research.