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- van der Kamp, Marc W., et al. Show all 3 Authors
- Chemical communications 2008 no.16 pp. 1874-1876
- arginine; catalytic activity; chemical compounds; citrate (si)-synthase; condensation reactions; models; quantum mechanics
- ... High-level ab initio quantum mechanical/molecular mechanical (QM/MM) modelling of citryl-CoA formation in citrate synthase reveals that an arginine residue acts as the proton donor; this proposed new mechanism helps to explain how chemical and large scale conformational changes are coupled in this paradigmatic enzyme. ...