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Designing Well-Structured Cyclic Pentapeptides Based on Sequence–Structure Relationships

Cyclic peptides are a promising class of molecules for unique applications. Unfortunately, cyclic peptide design is severely limited by the difficulty in predicting the conformations they will adopt in solution. In this work, we use explicit-solvent molecular dynamics simulations to design well-stru...

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Pubblicato in:J Phys Chem B
Autori principali: Slough, Diana P., McHugh, Sean M., Cummings, Ashleigh E., Dai, Peng, Pentelute, Bradley L., Kritzer, Joshua A., Lin, Yu -Shan
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2018
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6071411/
https://ncbi.nlm.nih.gov/pubmed/29589926
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.8b01747
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