Interview with Ibrahim Dawod on the use of SimEx and Gromacs for bioimaging theoretical simulations
We interviewed Ibrahim Dawod, PhD student at the European XFEL and at Uppsala University in Sweden, to learn more about the use of the photon simulation environments, SimEx and Gromacs, for bioimaging. WATCH THE INTERVIEW (and demo) HERE: https://youtu.be/SE4nwchbBMg SimEx is a unique simulation framework that uses some of most advanced simulation tools and integrates them to mimic an entire light source beamline. It is a flexible, modular system that can be tailored for use at potentially any advanced light source. >> SimEx on PaNOSC Github: https://github.com/PaNOSC-ViNYL/SimEx GROMACS is a versatile package to perform molecular dynamics. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.
Keywords
EOSC, PaNOSC, data simulations, photon simulation, bioimaging, free electron lasers, SimEx, Gromacs, experiments' simulations
