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Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size
Recent molecular dynamics (MD) simulations of human hemoglobin (Hb) give results in disagreement with experiment. Although it is known that the unliganded (T [Formula: see text]) and liganded (R [Formula: see text]) tetramers are stable in solution, the published MD simulations of T [Formula: see te...
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| Vydáno v: | eLife |
|---|---|
| Hlavní autoři: | , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
eLife Sciences Publications, Ltd
2018
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6042964/ https://ncbi.nlm.nih.gov/pubmed/29998846 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.7554/eLife.35560 |
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