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The QM/MM molecular dynamics and free energy simulations of the acylation reaction catalyzed by the serine carboxyl peptidase kumamolisin-As
Quantum mechanical/molecular mechanical molecular dynamics and free energy simulations are performed to study the acylation reaction catalyzed by kumamolisin-As, a serine-carboxyl peptidase, and to elucidate the catalytic mechanism and the origin of substrate specificity. It is demonstrated that the...
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| Glavni autori: | , , , , |
|---|---|
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2007
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| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2533263/ https://ncbi.nlm.nih.gov/pubmed/17326662 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi061737p |
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