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Well done to Lisa Patric for defending successfully her Phd viva earlier this month ! Lisa has moved on to new position as data scientist in the healthcare sector, we wish her the very best for her next steps. 

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I'm excited that our collaboration with the life science software company Cresset has now led to the release of an FEP workflow based on open source academic code in Cresset's Flare user interface for structure-based drug design. This will hopefully significantly broaden the reach of open source academic software at pharmaceutical R&D sites across the world. Well done to Max and the broader software developers team at Cresset who worked hard to move from concept to commercial release over a 15 month period. 

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Our virtual reality prototype for interactive molecular dynamics simulations was recently showcased at the Edinburgh Science Festival as part of the 'Computer-powered chemistry' animation. Thanks to the demonstrators that made this event a  success ! 

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Congratulations to Stefano Bosisio who passed his PhD viva earlier this month. You will be missed Dr Bosisio !  

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We had a busy November and had many reasons to celebrate as the ERC starting grant ended. Arun has moved on to take up a PDRA position at the University of Warwick with  Józef R. Lewandowski,  Cesar is moving back to Mexico to take up a position at Tecsiquim, JR is moving on to England, and finally Pattama successfully defended her PhD thesis ! Well done everyone and wishing you all the best for your next endeavors. 

 

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A big well done to Alessio, Charis, Harris, Arun, Jordi who have now published their work on the development of novel cyclophilin inhibitors in the journal Chemical ScienceChemical Science.  Wonderful interplay between molecular simulations, organic syntheses, X-ray diffraction measurements, ITC experiments, SPR experiments thanks to a great network of support from the Hulme, Walkinshaw, Barlow labs, and the Edinburgh Protein Production facility.  And a big thank you to Dahlia Doughty-Shenton in the Carragher lab for running all the cell assays !  

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