Step 1 · Platform Manipulations

Step 2 · Choose Lipids Source

Note: From Database uses curated lipids; Upload Custom allows your own lipid molecules (.pdb/.mol2/.sdf/.gro/.xyz, ≤ 25 MB/file). Uploaded lipids will be parameterized (GAFF2) and included by counts.

Please enter lipid counts. Find lipid names in the lipid database.

Selected Lipids
No Lipids selected
{{ polymer.displayName }} Count:
Available Lipids ({{ selectedPolymerType != -1 ? availablePolymers[selectedPolymerType].displayName : 'No Selection' }})
Upload one or more lipid structures. Net Charge, Charge Model and Count appear per-file below.
FileDisplay NameCountNet ChargeCharge ModelAction
{{ lip.file.name }}

Step 3 · Drug Input

Please add hydrogens and define charge before submission

Step 4 · Model Conditions

Should be long enough if using umbrella sampling.
Distance between drug and membrane center.
Model generation ~1–2 min; simulation >30 min depending on size
Run multiple rounds of model generation to obtain stable model before simulation. Contact um.formulationmm@gmail.com for support.