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Dipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields

[Image: see text] The description of aggregation processes with molecular dynamics simulations is a playground for testing biomolecular force fields, including a new generation of force fields that explicitly describe electronic polarization. In this work, we study a system consisting of 50 glycyl-l...

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Detalles Bibliográficos
Autores principales: Götz, Andreas W., Bucher, Denis, Lindert, Steffen, McCammon, J. Andrew
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3986234/
https://www.ncbi.nlm.nih.gov/pubmed/24803868
http://dx.doi.org/10.1021/ct401049q