Drug-membrane transfer free energies for coarse-grained trimers and tetramers
| Main Authors: | Christian Hoffmann, Roberto Menichetti, Kiran H. Kanekal, Tristan Bereau |
|---|---|
| Format: | info dataset |
| Terbitan: |
, 2019
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| Online Access: |
https://zenodo.org/record/2630489 |
Daftar Isi:
- The databases contain drug-membrane transfer free energies for coarse-grained Martini trimers and tetramers inserted in a one-component DOPC membrane. We also provide a database of atomistic-resolution compounds mined from the GDB and that map to trimers.