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Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins
[Image: see text] A fundamental requirement to predict the native conformation, address questions of sequence design and optimization, and gain insights into the folding mechanisms of proteins lies in the definition of an unbiased reaction coordinate that reports on the folding state without the nee...
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| Veröffentlicht in: | J Chem Theory Comput |
|---|---|
| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American
Chemical Society
2020
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| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8009504/ https://ncbi.nlm.nih.gov/pubmed/32693598 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00524 |
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