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Confirmed Speakers
Real World Use of FEP+Calculations - Lessons Learned at Boehringer Ingelheim
| Dr Sandra HANDSCHUH (BOEHRINGER INGELHEIM, Biberach, Germany) Read more
Sandra Handschuh is a Principal Scientist working in computational chemistry as part of the medicinal chemistry department. Her work includes designing drug compounds, giving computational support for medicinal chemistry projects, and data analysis of large-scale data sets. She is involved in the implementation of digital services, and smart assistances for drug design and data analysis.
Her passion is mostly working with protein-ligand structures, auch as detailed analysis of protein-ligand interactions, ligand binding processes, bioactive conformations etc.
She studied chemistry at the Friedrich-Alexander University in Erlangen including a research stay within Ken Houk’s lab at the UCLA. In her PhD with Johann Gasteiger she worked with Genetic Algorithm for MCS based molecular superimpositions and Neural Networks for property predictions. After her PhD she joined BI in 2000.
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| Dr Theodor THEIS (BOEHRINGER INGELHEIM, Biberach an der Riss, Germany) Read more
Theodor Theis is a Senior Scientist working in medicinal chemistry. His work includes designing compounds for medicinal chemistry projects, planning synthesis routes and supervising their execution internally and at CROs. He is further involved in the implementation and development of different digital tools for design & chemistry at BI.
He studied chemistry in Mainz and Marburg including a research stay at Tongji University, Shanghai. In his PhD with Prof. Koert in Marburg he worked on photochemistry and its application to natural product synthesis. After his PhD he joined Boehringer in 2020. Beside drug hunting, his scientific interests include immunology, photochemistry and the application of digital technology such as AI/ML & CASP to the challenges faced by medicinal chemists.
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