OpenFold2Virtual screening will be performed against the protein entered here. Enter the amino acid sequence of the protein or select an example to predict its 3D structure.
Amino Acid Sequence. Sequence must be at least 50 characters long for docking to work.
MMseqs2 Multiple Sequence Alignment
The predictions of OpenFold2 use a multiple sequence alignment (MSA). Specify here how to perform the MSA search.MSA Databases
Uniref30_2303
PDB70_220313
colabfold_envdb_202108
Inclusion Threshold
2
3
4
5
6
7
8
9
10
1
2
3
4
5
6
GenMol
This module uses GenMol to generate molecules to screen for activity against the protein. Choose how to generate optimized molecules for the virtual screening.
Molecule Sequence
1
11
21
31
41
51
61
71
81
91
100
0.01
1.01
2.01
3.01
4.01
5.01
6.01
7.01
8.01
9.01
10
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
1
2
3
4
5
6
7
8
9
10
DiffDock InputsThe final step of virtual screening uses DiffDock to predict how each generated molecule will interact with the target protein. Choose how the generated molecules and the protein will be docked.
