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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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Autors principals: Saen-oon, Suwipa, Schramm, Vern L., Schwartz, Steven D.
Format: Artigo
Idioma:Inglês
Publicat: 2008
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Accés en línia: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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