Molecular Dynamics Simulation of Sperm Whale Myoglobin: Effects of Mutations and Trapped CO on the Structure and Dynamics of Cavities

The results of extended (80-ns) molecular dynamics simulations of wild-type and YQR triple mutant of sperm whale deoxy myoglobin in water are reported and compared with the results of the simulation of the intermediate(s) obtained by photodissociation of CO in the wild-type protein. The opening/clos...

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Bibliographic Details
Main Authors: Bossa, Cecilia, Amadei, Andrea, Daidone, Isabella, Anselmi, Massimiliano, Vallone, Beatrice, Brunori, Maurizio, Di Nola, Alfredo
Format: Artigo
Language:Inglês
Published: Biophysical Society 2005
Subjects:
Proteins
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC1366547/
https://ncbi.nlm.nih.gov/pubmed/15849248
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.104.055020
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