Sense and Simplicity in HADDOCK Scoring: Lessons from CASP‐CAPRI (page 418)

Originally published in PROTEINS: Structure, Function, and Bioinformatics 2017; 85(3):417–423 (DOI: 10.1002/prot.25198)

Keywords: docking; biomolecular complexes; ranking; electrostatics; van derWaals energy; desolvation energy; scoring functions; data‐driven docking

Erratum

There was a typo in the equations 1 and 3 on page 418. The correct equations are reported below.

$$•HS‐it0:0.0{1\mathrm{E}}_{\text{vdW}}+1.0{\mathrm{E}}_{\text{elec}}+1.0{\mathrm{E}}_{\text{desolv}}–0.01\text{BSA}+0.0{1\mathrm{E}}_{\text{AIR}}$$ (1)

$$•HS‐it1:1.0{\mathrm{E}}_{\text{vdW}}+1.0{\mathrm{E}}_{\text{elec}}+1.0{\mathrm{E}}_{\text{desolv}}–0.01\text{BSA}+0.{1\mathrm{E}}_{\text{AIR}}$$ (2)

$$•HS‐water:1.0{\mathrm{E}}_{\text{vdW}}+0.{2\mathrm{E}}_{\text{elec}}+1.0{\mathrm{E}}_{\text{desolv}}+0.0{1\mathrm{E}}_{\text{AIR}}$$ (3)