A QM/MM MD study of the pH-dependent proton-shuttle reaction mechanisms and residue-gated movement o

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:laoyu2030
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Hydroxynitrilelyases(HNLs)catalyze the cleavage of cyanohydrins into aldehyde(or ketone) and hydrocyanic acid(HCN).The release of HCN not only can protect plant system from herbivores and microbial attack but also provides a nitrogen source for the biosynthesis of asparagine.
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