Interface refifinement of low- to medium-resolution
Cryo-EM complexes using HADDOCK2.4
Tim Neijenhuis,
1
Siri C. van Keulen,
1
and Alexandre M.J. J. Bonvin
1
,
2
,
*
1
Computational Structural Biology Group, Bijvoet Center for Biomolecular Research, Science for Life, Faculty of Science - Chemistry, Utrecht
University, Padualaan 8, 3584 CH, Utrecht, the Netherlands
2
Lead contact
*Correspondence:
a.m.j.j.bonvin@uu.nl
https://doi.org/10.1016/j.str.2022.02.001
Highlights
- HADDOCK refifinement leads to 98% cryo-EM PPI clash removal
- Cryo-EM interface contact quality is signifificantly enhanced by HADDOCK refifinement
- Structural quality of complexes is best preserved in all-atom refifinement protocols
