Unfolding Ubiquitin by force: water mediated H-bond destabilization

Using the “pull and wait” (PNW) simulation protocol at 300 K, we studied the unfolding by force of an ubiquitin molecule. PNW was implemented in the CHARMM program using an integration time step of 1 fs and a uniform dielectric constant of 1. The ubiquitin molecule, initially solvated, was put under...

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Autores:
Pabón, Germán; Departamento de Física Facultad de Ciencias Pontificia Universidad Javeriana
Amzel, Mario; Department of Biophysics and Biophysical Chemistry, Johns Hopkins University School of Medicine. Baltimore, USA.
Tipo de recurso:
Article of journal
Fecha de publicación:
2012
Institución:
Pontificia Universidad Javeriana
Repositorio:
Repositorio Universidad Javeriana
Idioma:
eng
OAI Identifier:
oai:repository.javeriana.edu.co:10554/31738
Acceso en línea:
http://revistas.javeriana.edu.co/index.php/scientarium/article/view/4024
http://hdl.handle.net/10554/31738
Palabra clave:
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H-bond, molecular dynamics, PNW, mechanical unfolding
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H-bond, molecular dynamics, PNW, mechanical unfolding
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Rights
openAccess
License
Atribución-NoComercial-SinDerivadas 4.0 Internacional