Asad Rahman on Small molecules and reaction mechanism – Rewiring the enzyme space
In the second research talk on Tuesday morning Asad from EBI talks about his research on finding pathes in metabolic networks. Asad and I have been working together CUBIC in Cologne and are now again colleagues at EBI. Goal of his work has been to find patterns in biological reaction networks. His first examples deals with finding shortest pathes in a metabolic network. The problem here lies in finding maximum common substructures or calculating similarities which allow to judge which molecule in a multi-component reaction was formed out of which product. He show a number of application cases, talks about performance problems of CDK MCSS and then introduces his new tool called “Small Molecule Subgraph Detector (SMSD)”.