buildDG-GL Input

file_upload Select file Change  
file_upload Select file Change  
file_upload Select file Change  
file_upload Select file Change  
This is optional. A message will be sent to your emal when your job is done.
 

local_libraryReferences

1 Duc D. Nguyen and Guo-Wei Wei, Differential geometry based geometric data analysis (DG-GDA) of molecular datasets (2018)

perm_contact_calendarContact Information

Contact us : wei at math.msu.edu
Webmaster : ddnguyen at math.msu.edu

layersDG-GL's Flow Chart

flowchart

extensionUser guide

RI-Score is machine-learning based approach to predict a binding energy (in kcal/mol) of a complex

Your INPUT includes
  • Protein in PDB format
  • Ligand in SDF or MOL2 format
  • Notice that: your protein and ligand have already formed a complex

Your OUTPUT includes
  • Predicted binding energy in kcal/mol