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Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data
In the past few decades, prediction of macromolecular structures beyond the native conformation has been aided by the development of molecular dynamics (MD) protocols aimed at exploration of the energetic landscape of proteins. Yet, the computed structures do not always agree with experimental obser...
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| Publicado no: | J Chem Phys |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7255814/ https://ncbi.nlm.nih.gov/pubmed/32486681 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0007158 |
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