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本文计算了木瓜蛋白酶分子中肽基和各种不同类型、非极性、极性不带电荷和带电荷氨基酸侧链的abinitio从头计算分子静电势图,并讨论了某些常和酶催化活性中心有关的侧链如天冬酰氨、丝氨酸和组氨酸等的静电势分布特点。
In this paper, the abitinato ab initio molecular electrostatic potential diagram of peptidyl and various types of nonpolar and polar uncharged and charged amino acid side chains in papain was calculated and some common and enzymatic active centers Related side chains such as asparagine, serine and histidine electrostatic potential distribution characteristics.