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usage of unigbsa-pipeline #61

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sf-polaris opened this issue Dec 23, 2024 · 0 comments
Open

usage of unigbsa-pipeline #61

sf-polaris opened this issue Dec 23, 2024 · 0 comments

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@sf-polaris
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Hi! I used unigbsa-pipeline to calculate the MM/GBSA of ligands generated by virtual screening. I rescored 5000 compounds. However, only several ligands successfully generated the results, and lots of the ligands got the "0". I also used the unigbsa-validate to validate the ligands. However, it didn't work. How can I resolve the problem? Please help me. Thank you.
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