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Quantitative Analysis of Ligand Migration from Transition Networks

In this work we use transition network analysis for the first time to investigate ligand migration in truncated hemoglobin (trHbN) and obtain kinetic information about the docking-site dynamics in the protein. A comparison with explicit water molecular dynamics simulations (100 ns in total) shows th...

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Detalhes bibliográficos
Main Authors: Mishra, Sabyashachi, Meuwly, Markus
Formato: Artigo
Idioma:Inglês
Publicado em: The Biophysical Society 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3000489/
https://ncbi.nlm.nih.gov/pubmed/21156139
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.09.068
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