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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...
Autores principales: | Götz, Andreas W., Bucher, Denis, Lindert, Steffen, McCammon, J. Andrew |
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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 |
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