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Including residual contact information into replica-exchange MD simulations significantly enriches native-like conformations
Proteins are complex biomolecules which perform critical tasks in living organisms. Knowledge of a protein’s structure is essential for understanding its physiological function in detail. Despite the incredible progress in experimental techniques, protein structure determination is still expensive,...
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| Publicado no: | PLoS One |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7668583/ https://ncbi.nlm.nih.gov/pubmed/33196676 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0242072 |
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