Dr. Latour's Biomolecular Modeling Lab
Constructing SAM Surfaces
Each of the self-assembled monolayer (SAM) surfaces is represented with the MD simulation water box, sodium and chlorine ions, and host-guest TGTG-X-GTGT peptide, where X is THR.
Download SAMs
| Download | SMILES | Functional Group Terminated Alkanethiol |
|---|---|---|
| nhcoch3_thr.pdb | HS(CH2)11NHCOCH3 | Acetamide |
| nh3_thr.pdb | HS(CH2)11NH3 | Amine |
| cooh_thr.pdb | HS(CH2)11COOH | Carboxyl |
| oh_thr.pdb | HS(CH2)11OH | Hydroxyl |
| pegoh_thr.pdb | HS(CH2)11(OC2H4)3OH | Hydroxyl Group Terminated PEG |
| ch3_thr.pdb | HS(CH2)11CH3 | Methyl |
| cooch3_thr.pdb | HS(CH2)11COOCH3 | Methylformyl |
| oc5h6_thr.pdb | HS(CH2)11OC5H6 | Phenoxy |
| och2cf3_thr.pdb | HS(CH2)11OCH2CF3 | Trifluoroethoxy |