Published April 5, 2019
| Version v3
Dataset
Open
Drug-membrane transfer free energies for coarse-grained trimers and tetramers
- 1. Max Planck Insitute for Polymer Research
Description
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.
Files
LinTrimers_GDB2to10_database.txt
Files
(79.6 MB)
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