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[WIP] Implement ProLIF for OpenMMDL Analysis #78

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talagayev opened this issue Jun 5, 2024 · 0 comments
Open

[WIP] Implement ProLIF for OpenMMDL Analysis #78

talagayev opened this issue Jun 5, 2024 · 0 comments
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OpenMMDL Analysis

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@talagayev
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Things to do:

  • implement ProLIF in OpenMMDL Analysis, which would allow to fix cases, where PLIP selects incorrect Hydrogen Bond Acceptor/Donor. Possibly add the option to do the interaction calculation with ProLIF.
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