Use of Molecular Dynamics for the Refinement of an Electrostatic Model for the In Silico Design of a Polymer Antidote for the Anticoagulant Fondaparinux

Molecular dynamics (MD) simulations results are herein incorporated into an electrostatic model used to determine the structure of an effective polymer-based antidote to the anticoagulant fondaparinux. In silico data for the polymer or its cationic binding groups has not, up to now, been available,...

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Detalles Bibliográficos
Autores principales: Cajiao, Adriana, Kwok, Ezra, Gopaluni, Bhushan, Kizhakkedathu, Jayachandran N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4782625/
https://www.ncbi.nlm.nih.gov/pubmed/27006916
http://dx.doi.org/10.1155/2013/487387

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4782625/
https://www.ncbi.nlm.nih.gov/pubmed/27006916
http://dx.doi.org/10.1155/2013/487387

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