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Folding Very Short Peptides Using Molecular Dynamics
Peptides often have conformational preferences. We simulated 133 peptide 8-mer fragments from six different proteins, sampled by replica-exchange molecular dynamics using Amber7 with a GB/SA (generalized-Born/solvent-accessible electrostatic approximation to water) implicit solvent. We found that 85...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2006
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1435986/ https://ncbi.nlm.nih.gov/pubmed/16617376 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.0020027 |
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