KGS v2.0

A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

Running KGS v2.0 on-line as Demonstration
The default reference library used for KGS2 is general set in PDBbind-CN v2014, which includes 10605 protein-ligand complexes in total. Due to the limitation of network bandwidth and harddisk storage capacity, uploading of custom reference library is forbidden in this online demo. If the user upload a reference complex, then this demo in fact output the similarity between query complex and reference complex.

Note that the interface below is designed for the users to test KGS2 in the standard running mode only. To use the full functions of KGS2, the user has to download the complete KGS2 suite and run it on a local computer. The full functions of KGS2 are described in the user's manual. [User manual of KGS2]

Upload Structure Files
Query Protein:	(* in PDB Format)
Query Ligand:	(* in Mol2 Format)
Reference Protein:	(in PDB Format)
Reference Ligand:	(in Mol2 Format)

Notes: In default, KGS2 will use the general set from PDBbind-CN v2014 as reference library. If the user upload a reference complex, then this demo in fact output the similarity between query complex and reference complex.