Name

vina

Software

Smina Aug 3 2016.

Parameters

NA

Method

Use same score from pose selection.

Name

vina

Software

Smina Aug 3 2016.

System Preparation Parameters

NA

System Preparation Method

remove waters, rdkit for conformer generation

Pose Prediction Parameters

--exhaustiveness 50 --seed 0 --num_modes 20

Pose Prediction Method

Default smina docking. Docked to 7 highest resolution co-crystals + apo. Took best scoring poses.