Matgen

Step 1 Select PDB Help

Example 1: Input Results

Step 2 Pocket Setting

Step 3 Select Molecule

Screened library selection
Library :

DrugBank contains 2387 records. HMDB contains 113875 records. And InterBioScreen contains 555295 molecules.

My Library

Step 4 Select & Set App

Note：Select ≦ 3 options

V 1.1.2 (Default) V 1.2.3

(A) The seed arg :

(A) The exhaustiveness arg :

(B) The energy_range arg :

(C) The weight_gauss1 arg :

(D) The weight_gauss2 arg :

(E) The weight_repulsion arg :

(F) The weight_hydrophobic arg :

(G) The weight_hydrogen arg :

(H) The weight_rot arg :

(I) The seed arg :

(A) The type of scoring function:

(B) The electrostatic preference of docked ligands:

(C) The hydrophobic preference of docked ligands:

(D) The intra-energy of ligand:

(E) The family competition (parameter in genetic algorithm):

(F) The flexible or rigid docking:

(G) The generation numbers (parameter in genetic algorithm):

(H) The population size(0~2000):

Default DLIGAND2 Vinardo

Cutoff : Note: The value should be 0~1.

Step 5 Email Inputing

Email(optional) :

Note：This email address is optional. It will be used to receive the job id, as well as get a reminder when the task has been finished or cancelled.