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. 2022 Apr 15;36(4):291–311. doi: 10.1007/s10822-022-00452-7

Table 2.

Overview of the Stage 2: Binding pose prediction submissions. 5 sets of predictions were submitted for Stage 2. The first, second, third and fourth columns correspond to the submission identification number (SID), the affiliation of the participants, the method’s name and the list of software used

SID Participant Affiliation Method Name Method category Software used
77

Molecular Modeling Section Lab (Prof. Stefano Moro)

University of Padova, Italy

HT-SuMD Other, (MD)

MOE 2019.01

Acemd3

VMD

Python 3.6

scikit-learn 0.21.3

AmberTools 2016

75 Acellera rDock-rDeep Docking, ML

rdkit 2018.03.4

HTMD

Playmolecule proteinPrepare

rDock

rDeep v0

64 Not provided 2d feature model Docking Smina
79

The University of Tokyo, Japan

SHaLX Inc.

Template docking Docking Molegro Virtual Docker (7.0.0)
80 Institut de Chimie des Substances Naturelles, CNRS, Gif-sur-Yvette, France ranking_stage2 Docking

Schrodinger LigPrep v48012

CACTVS Chemoinformatics Toolkit V3.4.6.26

CORINA v4.2.0

CCDC GOLD v5.7.1 (CSDS-2019-1)