Serine proteases: An ab initio molecular dynamics study
نویسندگان
چکیده
منابع مشابه
Serine proteases: an ab initio molecular dynamics study.
In serine proteases (SPs), the H-bond 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 representing adducts between the reaction intermediate and elastase (one protein belonging to the SP fam...
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ژورنال
عنوان ژورنال: Proteins: Structure, Function, and Genetics
سال: 1999
ISSN: 0887-3585,1097-0134
DOI: 10.1002/(sici)1097-0134(19991201)37:4<611::aid-prot11>3.0.co;2-7