Thomas Evangelidis is a Research Scientist at the Institute of Organic Chemistry and Biochemistry (IOCB) in Prague. His research is centered around novel method development for protein-ligand binding affinity prediction and NMR structure determination, for which he combines notions from Chemoinformatics, Machine Learning, and Quantum Chemistry. He has developed "deepScaffOpt" algorithm for affinity ranking, which was very successful in the recent D3R Challenges, and "4D-CHAINS" for high throughput protein structure determination from only two 4D-NMR spectra. He is in the process of starting a company that will provide computational services and consulting related to drug design and protein structure determination. Thomas obtained his PhD in Computation Medicinal Chemistry & NMR from the Dept. of Pharmacy, University of Athens, Greece & Central European Institute of Technology (CEITEC), Brno, Czech Republic. He continued in CEITEC for a 2-year post-doc on 4D-NMR protein structure determination. In 2018 he joined IOCB, where he develops new methods for binding affinity prediction.
Artificial Intelligence And Quantum Chemistry
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