[CPU, GRO_A8] Project p19221 on FAH

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tjdean2
Scientist
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Joined: Thu Apr 07, 2022 1:53 pm

[CPU, GRO_A8] Project p19221 on FAH

Post by tjdean2 »

Project 19221 on FAH! The project involves Relative Binding Free Energy (RBFE) calculations of several common groups (anilide, aniline, indole, phenol, pyrrole, and thiazole) derivatives to the tryptophan 6-halogenase Thal; part of an enzyme group that may allow for improved regioselectivity of halogenation when synthesizing compounds of interest to drug design.
More details on -
https://stats.foldingathome.org/project?p=19221

Stats:
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p19221: <stats-credit v=”12455”/>, <atoms v=”60771”/>
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