Program Thursday, 8.12.16
Start at 2 pm. Lecutres 25 min + 5 min discussion
2:00 -2:05 Welcome to the 2nd Meeting
2:05-2:35 Johannes Kirchmair
Automated compilation of high-quality datasets of protein-bound ligand conformations and their application to benchmarking conformer ensemble generators
2:35 -3:05 Thomas Lemcke:
Computer Assisted lead search for new inhibitors of GyrB
3:05-3:35 Nils Huse:
Core-level spectroscopy of heteroatoms in small solvated organic molecules and transition-metal complexes - TDDFT vs. core-RASSCF.
3:35 - 4:00 Coffe Break
4:00 - 4:30 Julia Rehbein:
The Fate of Short-Lived Intermediates: Expect the Unexpected
4:30-5:00 Sven Jakobtorweihen:
Molecular dynamics simulations of drug-membrane interactions at different pH values
5:15- ~ 8:00 (or so) Poster session with beer/drinks and pretzel!