PhD Robin Strickstrock’s poster was entitled "Optimizing Lennard-Jones Parameters by Coupling Nano- and Macroscale Target Data Using User-Guided Numerical Algorithms." The poster presented current work towards improving the modeling of chemical and biological systems. This research is a continuation of Strickstrock's master thesis, for which he won the "Förderpreis der Fördergesellschaft der Hochschule Bonn-Rhein-Sieg".
Reseach and Tacos
Dr. Kirschner’s poster was entitled "Performance of Dunning, Jensen and Karlsruhe Basis Sets on Computing Relative Energies and Geometries of Minima and Transition States." This work has been written into a manuscript, which is undergoing peer-review for publication. At the conference the two scientists also met with Dr Andreas Krämer, a former H-BRS PhD student from the Reith and Kirschner group who is currently working at the National Institute of Health in the U.S. They discussed their ongoing collaborative research over several orders of tacos. Kirschner also attended the COMP Programming and Executive Meeting held at the conferences beginning. Kirschner is part of the division's award committee and oversees the Chemical Computing Group Graduate Student Travel Awards.
Computational Chemistry in Drug Design
After the conference, Kirschner traveled to Ohio State University where he met Dr Karilyn Larkin, a medical doctor for acute myeloid leukemia (AML). Dr Larkin is a former bachelor research student of Kirschner from when he taught at Hamilton College. Recently, they co-authored a research paper in Blood Advances that investigates a new compound that is active against AML. While at Ohio State University, Kirschner gave an invited talk entitled "Computational Chemistry and its Use in Drug Design." He also met with Dr Erin Hertlein, Prof. Dr Blake Peterson (Chair of Medicinal Chemistry and Pharmacognosy) and Prof. Dr John Byrd (the D. Warren Brown Chair of Leukemia Research) to discuss further research collaborations and prospects.
- Blood Advances paper: https://doi.org/10.1182/bloodadvances.2018024182
- Conference Poster (Kirschner): https://drive.google.com/file/d/1uRRtXlcfnsunkKBep265C2RNu0Q-eQ-l/view?usp=sharing