[CPU, GRO_A8] Project p19221 on FAH
Posted: Mon Feb 20, 2023 3:25 pm
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:
<timeout v=”1”/>
<deadline v=”2”/>
p19221: <stats-credit v=”12455”/>, <atoms v=”60771”/>
More details on -
https://stats.foldingathome.org/project?p=19221
Stats:
<timeout v=”1”/>
<deadline v=”2”/>
p19221: <stats-credit v=”12455”/>, <atoms v=”60771”/>