Data for FEgrow: An Open-Source Molecular Builder and Free Energy Preparation Workflow
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下载链接：
https://zenodo.org/record/7112874
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资源简介：
Data illustrating the use of de novo design in building and scoring protein-ligand complexes.
This is relationship to the FEgrow publication with the intiial preprint here:
https://chemrxiv.org/engage/chemrxiv/article-details/6287bb98a42e9c78d34769f6
The FEgrow software snapshot used can be found here: https://zenodo.org/record/7105647#.YzFwINLMIUE
创建时间：
2022-09-26
