Dr. Juan V. Alegra Requena was awarded funds for travel to present his work at the RSEQ XXXVIII Biennial meeting in Granada, Spain in June, 2022 and the 8th EuChemS Chemistry Congress in Lisbon, Portugal in September 2022. As of April 2022, he has a Juan de la Cierva contract at the University of Zaragoza, Spain where he is establishing his own research group focusing on computational mechanisms and Machine Learning. He is additionally developing cheminformatics tools for multiple purposes such as data manipulation, automated supporting information creation and Machine Learning modeling. One of the most important codes is GoodVibes (https://github.com/bobbypaton/GoodVibes, a useful tool used to gather, analyze, check, and present thermochemistry data from multiple quantum mechanical programs.
Dr. Beatrice Chiew was awarded funds to present her work at the Royal Australian Chemistry Institute National Congress in July 2022 and the EFMC International symposium on medicinal chemistry in September. She is a a postdoc at the University of Newcastle, Australia, where she is working on drug development in the space of Dynamin endocytosis inhibitors. Her PhD work was on the development of a novel fragment-to-lead workflow to expedite the development of chemical probes against the DNA damage protein 53BP1 for use against BRCA-1 breast cancer. She continues to explore these fragments through purchasable analogues using a novel cheminformatic algorithm called GRADe
Chemical Structure Association Trust 