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Drug-membrane transfer free energies for coarse-grained trimers and tetramers

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Zenodo2019-04-05 更新2026-04-07 收录
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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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2019-04-05
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