MSc. Ziwei Pang
- M2
- Room: CS / B 30.44 / R 818
- Phone: 45703
- Ziwei pang ∂ kit edu
- www.ipc.kit.edu/tcb/english/index.php
Karlsruher Institut für Technologie
Institut für Physikalische Chemie
Abteilung für Theoretische Chemische Biologie
Multiscale modelling is a promising tool to reveal the mechanism behind complex biochemical reactions. Here, a set of Glucose binding protein-based fluorescence probes are studied by theoretical calculations. Stable molecular structures and the free energy of these conformations are presented by free molecular dynamics simulations as well as metadynamics, which are used to demonstrate laboratory experiments and to provide support for future exploration of novel probes.