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Published in 2022 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-022-00451-8
Abstract: Creatininase is a key enzyme of creatinine-metabolizing pathway in mammals, and has a great potential for diagnostic application. It catalyzes the reversible conversion of creatinine to creatine. Here, we investigated its reaction mechanism with density…
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Keywords:
role;
proton;
reaction;
creatininase ... See more keywords