# Name for the protocol
Name: MOE method
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# All software packages used and their versions:
Software: MOE version 2012.10
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# List of key parameters used for system preparation
System Preparation Parameters: Protein preparation done using LigX suite of MOE
System Preparation Parameters: Ligands created from sdf file by using energy minimization tool of MOE
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# Plain-text description of system preparation method
System Preparation Method:Protein 4QE6 was chosen for docking as it is the Xray crystal structure of lowest resolution, The protein was prepared using LigX suite in MOE. SDF file given in the challenge was converted to PDB structures using energy minimzation function of MOE using forcefield MMFF94x. Docking scoring was done using London Dg forcefield and rescoring was done using GBVI/WSA DG forcefield.
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# List any number of key computational parameters in the following lines:
Pose Prediction Parameters: Placement=trianglemacher
Pose Prediction Parameters: Rescoring1 retain=5
Pose Prediction Parameters: Rescoring2 retain=5
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# Provide free text description of your method below. Use as many lines as you need. 
Pose Prediction Method: Docking runs were executed with the above specified parameters, the best pose from MOE docking are submitted with this protocol. 
