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Exploring the Energy Landscapes of Cyclic Tetrapeptides with Discrete Path Sampling

[Image: see text] Cyclic tetrapeptides are an important class of biologically active molecules that exhibit interesting conformational dynamics, with slow interconversion of several different structures. We present calculations on their energy landscapes using discrete path sampling. In acyclic pept...

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Autors principals: Oakley, Mark T., Johnston, Roy L.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2012
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3624815/
https://ncbi.nlm.nih.gov/pubmed/23596359
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct3005084
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