Drug-membrane transfer free energies for coarse-grained trimers and tetramers
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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.
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Zenodo创建时间:
2019-05-06



