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Predicting Protein Dimer Structures Using MELD × MD

It is challenging to predict the docked conformations of two proteins. Current methods are susceptible to errors from treating proteins as rigid bodies and from an inability to compute relative Boltzmann populations of different docked conformations. Here, we show that by using the ClusPro server as...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Brini, Emiliano, Kozakov, Dima, Dill, Ken A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6690486/
https://ncbi.nlm.nih.gov/pubmed/30908034
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b01208
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