Dataset 2 for paper "Esimation of free energy of ligand binding using Multi-eGO"
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下载链接：
https://zenodo.org/record/12800759
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资源简介：
Dataset2 contains Kinase dataset and part of Lysozyme-Benzene dataset:
LYZ-BNZ:
Unbiased binding simulations
Kinase:
APO trainng, reference, and multi-eGO simulations
HOLO training, reference and multi-eGO simulations of both Dasatinib and PP1
Thermodynamic integration of both Dasatinib and PP1
创建时间：
2024-08-31
