Dataset 1 for paper: "Estimation of free energy of ligand binding using Multi-eGO"
收藏官方服务：
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
提供机构：
Zenodo创建时间：
2024-08-31
