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Kinetics of O(2) Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics
The flavoenzyme monomeric sarcosine oxidase (MSOX) catalyzes a complex set of reactions currently lacking a consensus mechanism. A key question that arises in weighing competing mechanistic models of MSOX function is to what extent ingress of O(2) from the solvent (and its egress after an unsuccessf...
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| 出版年: | J Chem Theory Comput |
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| 主要な著者: | , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2016
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5501303/ https://ncbi.nlm.nih.gov/pubmed/27168219 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00071 |
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