Not possible.
After 1 year, Diana has achieved the following goals:
- Identification of potential heme-binding sites (SeeSAR) at the surface of FVIII: Already finalized last time.
- Characterization, identification of molecular features of the individual interactions between a distinct HBM and heme from FlexX docking simulations: Ongoing studies.
- MD simulation of heme bound to most promising sites (1st: at each site separate, 2nd: at all highly favorable heme-binding sites at once) followed by MMPBSA and Hyde-based evaluation of binding affinities: Ongoing studies.