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Assessment of transferable forcefields for protein simulations attests improved description of disordered states and secondary structure propensities, and hints at multi-protein systems as the next challenge for optimization
Continuous assessment of transferable forcefields for molecular simulations is essential to identify their weaknesses and direct improvement efforts. The latest efforts focused on better describing disordered proteins while retaining proper description of folded domains, important because forcefield...
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| Publicado no: | Comput Struct Biotechnol J |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Research Network of Computational and Structural Biotechnology
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8120800/ https://ncbi.nlm.nih.gov/pubmed/34025949 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.csbj.2021.04.050 |
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