Liposome

Step 1: Platform Manipulations

Model Generation

Model Simulation and Analysis

Step 2: Generation Method

Preformed Model (Put lipids in a sphere shape)

Self-assembly Model (Put lipids randomly)

Step 3: Choose the Type of Lipid

Selected Lipids

No Lipids selected

{{ lipid.displayName }} Ratio: Count:

Available Lipids ({{ availableLipids[selectedLipidType].displayName }})

Available Lipids (No Selection)

Step 4: Drug Input

SMILES:

Top files (.itp in MARTINI2 FF):

PDB files (.pdb in MARTINI2 FF):

Drug numbers:

Note: you can calculate it based on the molar ratio or encapsulation ratio. For example, molar ratio: POPC:drug=10:1 equal to number ratio: POPC:drug=2000:200. In this case, you need run two turns model generation. 1. Run first turn model generation to determine the lipid numbers. 2. Run second turn model generation to determin the drug numbers based on the lipid numbers in the first turn.

Step 5: Model Conditions

Radius (nm): Size (nm):

Temperature (K):

Modification:

None

dspe_peg

Transferrin

Note:Model generation will complete in 1-2 minutes.
Model simulation will complete more than 1 hour (based on the radius size).

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.