CASP2 Docking Challenge Results

Recently the organizers of the Critical Assesment of Structure Prediction conference included a docking section in their challenge. Participants were asked to dock 6 ligand-target structures, with knowledge of only the target coordinates and the ligand structure.

The Monte Carlo engine in our program (called Research) performed very well in this challenge, predicting the closest RMS to the crystal structure for 2 of the ligands, and coming in second in overall ranking.

The following results are from the CASP2 docking challenge.


 
CASP2 ref  Our RMS Mean CASP2 RMS
T0013 
T0033 
T0034
T0036
T0040 
T0041		 1.37
1.17 
2.05 
6.59 
8.28 
8.30 		 2.72
7.20
2.50
7.07
6.66
6.95
 
 
CASP2 ref Docking RMS Ranking by energy Ranking by outrank
T0013
T0033
T0034
T0040
T0041		 1.37
1.17
2.05
1.81
1.97		 1
10
1
7
82		 6
2
2
30
67

      

Reference : Critical Evaluation of the Research Docking Program for the CASP2 challenge

Trevor N. Hart, Steven R. Ness, and Randy J. Read.

PROTEINS: Structure, Function, and Genetics.  Suppl. 1:205-209 (1997)

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Last Updated May 8, 1998