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FREE ENERGIES OF CHEMICAL REACTIONS IN SOLUTION AND IN ENZYMES WITH AB INITIO QM/MM METHODS

Combined QM/MM methods provide an accurate and efficient energetic description of complex chemical and biological systems, leading to significant advances in the understanding of chemical reactions in solution and in enzymes. Progress in QM/MM methodology and application will be reviewed, with a foc...

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Bibliografiska uppgifter
Huvudupphovsmän: Hu, Hao, Yang, Weitao
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2008
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC3727228/
https://ncbi.nlm.nih.gov/pubmed/18393679
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1146/annurev.physchem.59.032607.093618
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