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Towards theoretical analysis of long-range proton transfer kinetics in biomolecular pumps
Motivated by the long-term goal of theoretically analyzing long-range proton transfer (PT) kinetics in biomolecular pumps, a number of technical developments were made in the framework of QM/MM simulations. A set of collective reaction co-ordinates is proposed for characterizing the progress of long...
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| Autori principali: | , , , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2006
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2728601/ https://ncbi.nlm.nih.gov/pubmed/16405327 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp052328q |
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