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Data-guided Multi-Map variables for ensemble refinement of molecular movies

Driving molecular dynamics simulations with data-guided collective variables offer a promising strategy to recover thermodynamic information from structure-centric experiments. Here, the three-dimensional electron density of a protein, as it would be determined by cryo-EM or x-ray crystallography, i...

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Detalhes bibliográficos
Publicado no:J Chem Phys
Main Authors: Vant, John W., Sarkar, Daipayan, Streitwieser, Ellen, Fiorin, Giacomo, Skeel, Robert, Vermaas, Josh V., Singharoy, Abhishek
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7714525/
https://ncbi.nlm.nih.gov/pubmed/33291927
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0022433
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