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Synovial tissue macrophages in joint homeostasis, rheumatoid arthritis and disease remission

[15] Micke P, Beeh KM, Schlaak JF, Buhl R

doi: 10.1007/978-3-031-63657-8 22 LiXLiuQPanYChenSZhaoYHuY

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a,b , Representation of the stationary points calculated with ONIOM(B97X-D/6-311 + G(2d,p):ff14SB,gaff2,TIP3P) G(d):ff14SB,gaff2,TIP3P) for the Pt GSTF8-catalysed deprotonation-protonation reaction: flavan-3-on-4-ol ( 7 ), transition state for deprotonation ( 7-TS ), deprotonation product ( 8-enolate ) and cyanidin ( 8-B4 ) bound to the wild-type enzyme ( a ) and the C13S variant ( b )