Cyclodextrin

Step 1: Platform Manipulations

Model Generation

Model Simulation and Analysis

Step 2: Select Cyclodextrin Type

Step 3: Model Conditions

Temperature (K):

Step 4: Enter Drug Type

SMILES:

Choose files (eg., .pdb, .mol2):

Electrical Charge:

Please add hydrogen atoms and define the charge for your molecule before submission!

Charge Model:

RESP is recommended for high-accuracy use with GAFF2; AM1-BCC is fast and stable.

Note: Model generation will complete in 1-2 minutes.
Model simulation will complete in 5-8 minutes

MUST READ before process:
You always need to run several turns model generation to obain an ideal model. So don not run model simulation and analysis until you obtain an ideal model. Welcome to contact us (um.formulationmm@gmail.com) if you have any questions.