Dataset 1 for paper: "Estimation of free energy of ligand binding using Multi-eGO"
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下载链接：
https://zenodo.org/record/12800705
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资源简介：
The dataset 1 contains Lysozyme-Benzene dataset:
APO training, reference and multi-eGO simulations
HOLO training, reference and multi-eGO simulations
Thermodynamic integration calculations, Volume based metadynamics
创建时间：
2024-08-31
