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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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Detalhes bibliográficos
Main Authors: Oakley, Mark T., Johnston, Roy L.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2012
Acesso em linha: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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