Serine proteases: An ab initio molecular
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L. De Santis; P. Carloni
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Article
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1999
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John Wiley and Sons
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English
โ 282 KB
๐ 2 views
In serine proteases (SPs), the Hbond between His57 and Asp102 and that between Gly193 and the transition state intermediate play a crucial role in enzymatic function. To shed light on the nature of these interactions, we have carried out ab initio molecular dynamics simulations on complexes represen