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Input files for DP GPCR-FEP paper

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Zenodo2023-05-31 更新2026-05-26 收录
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We expended Uni-FEP on the web server Hermite™ (https://hermite.dp.tech/)\cite{hermite} for application in membrane proteins. Uni-FEP calculations were performed on 139 ligands against 8 GPCRs. We released our input structures for FEP calculation, which could serve as a benchmark dataset for future GPCR-FEP studies.

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2023-05-31
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