Published October 31, 2025 | Version v1
Dataset Open

Supplementary Data for "Accurate physics-based flexible docking of macrocyclic ligands"

Authors/Creators

  • 1. ROR icon Schrodinger (United States)

Description

Supplementary data for publication "Accurate physics-based flexible docking of macrocyclic ligands".

Includes:

  • All input structures used in the the retrospective benchmark dataset
  • The top (at most) 5 best scoring MacroDock output poses

Files

macrodock_dataset.zip

Files (86.5 MB)

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