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Transition Path Sampling Study of the Reaction Catalyzed by Purine Nucleoside Phosphorylase
The Transition Path Sampling (TPS) method is a powerful technique for studying rare events in complex systems, that allows description of reactive events in atomic detail without prior knowledge of reaction coordinates and transition states. We have applied TPS in combination with a hybrid Quantum M...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2008
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2909608/ https://ncbi.nlm.nih.gov/pubmed/20664707 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1524/zpch.2008.5395 |
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