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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,...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Public Library of Science
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7668583/ https://www.ncbi.nlm.nih.gov/pubmed/33196676 http://dx.doi.org/10.1371/journal.pone.0242072 |