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Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans
[Image: see text] In computational studies of glycosaminoglycans (GAGs), a group of anionic, periodic linear polysaccharides, so far there has been very little discussion about the role of solvent models in the molecular dynamics simulations of these molecules. Predominantly, the TIP3P water model i...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10091405/ https://www.ncbi.nlm.nih.gov/pubmed/36989082 http://dx.doi.org/10.1021/acs.jcim.2c01472 |