Public space
Public
| Type | Name | |
|---|---|---|
| OLD | ||
| On KNIME server | ||
| Alignment and rescoring | ||
| Binding pocket surface --- algorithm 1 | ||
| Binding pose QM strain energy | ||
| Binding pose QM strain energy - QM several confo | ||
| Binding pose QM strain energy --- qrnn | ||
| Binding pose QM strain energy with dihedral constraints | ||
| Conformational search and QM minimization | ||
| Deploy protocols and models on customer machine | ||
| Glide_Docking_Protocol_with_Reference_Ligand.zip | ||
| Glide_Docking_with_Auto_Grid_Selection.zip | ||
| Grid generation with H-bond constraints | ||
| Intra ligand distance | ||
| Job server | ||
| LD import - invoke on KNIME server | ||
| LD import - run on KNIME server | ||
| LD import from the Webportal | ||
| LD testing input model | ||
| LR column radar plot | ||
| Macrocycle strain Energy | ||
| Macrocycle strain Energy with ref | ||
| My workflow running on a KNIME server --- server as parameter | ||
| Protein descriptors | ||
| Training |