rewire.it
Paper-reported evidence

Normalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening

2025 · Peer-reviewed · version of record

Paper-reported results. The values below come from this source, not an independent rewire.it run.

Open primary paper →DOI: 10.1021/acs.jcim.4c01014

Primary full text via Europe PMC XML; venue: Journal of Chemical Information and Modeling; PMC ID: PMC11815853.

2 verified numerical rows · source checked 2026-09-15

Paper-reportedAuthor's model

DiffDock-NMDN

Protein–ligand virtual screening

Reported score
66.7%
Metric
Forward-screening success rate
Dataset / split
CASF-2016 blind docked poses

NMDN scoring on DiffDock-NMDN blind docked poses; not ligand-pose RMSD.

Table 2, DiffDock-NMDN / NMDN row, success rate (%) columnVerify at source →
Paper-reportedIndependent paper evaluation

Vina

Protein–ligand virtual screening

Reported score
42.1%
Metric
Forward-screening success rate
Dataset / split
CASF-2016 blind docked poses

Vina scoring on the same DiffDock-NMDN blind docked poses; not ligand-pose RMSD.

Table 2, Vina scoring row, success rate (%) columnVerify at source →