The pKa's of the thiols in the activated complex at different time points of the MD simulation.
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资源简介：
Calculated pKa's of Cys32Trx in the activated complex in selected snapshots where both the Cys32TrxSγ—Cys29TrxN and the Cys32TrxSγ—Trp28TrxN hydrogen bonds are present and particularly strong (SG…N distance<4 Å and SG…H-N angle>150 deg, with both Trp28-NH and Cys29-NH.) in a model similar to the Trx_ArsC_2_Cys32 model.
创建时间：
2009-08-13
