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Software Industry and Research Combine to Aid Drug Discovery

Successful collaboration to commercialise molecular modelling software
Screenshot from the application

Dr Julien Michel has collaborated with the software company Cresset under InnovateUK funding to integrate the open source software SOMD developed in his group for the past 7 years into Cresset's fully featured graphical user interface Flare, optimised for use in industry. SOMD is used to carry out Free Energy Perturbation calculations to predict compound activities of drug-like molecules ahead of expensive synthesis and bioactivity assays. 

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Tuesday, December 3, 2019