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Binding Site Rotational Analysis #12

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jameseastwood opened this issue Aug 11, 2023 · 0 comments
Open

Binding Site Rotational Analysis #12

jameseastwood opened this issue Aug 11, 2023 · 0 comments
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@richardjgowers

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@jameseastwood
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jameseastwood commented Aug 11, 2023 •
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Type
System sampling check
Question
Are there poorly sampled changes in binding site side chain rotations that aren't being sampled across some states?
Tool
MDA
Details
Rotamer detection
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@jameseastwood @richardjgowers