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Constant-pH Brownian Dynamics Simulations of a Protein near a Charged Surface
[Image: see text] We have developed a rigid-body Brownian dynamics algorithm that allows for simulations of a globular protein suspended in an ionic solution confined by a charged planar boundary, with an explicit treatment of pH-dependent protein protonation equilibria and their couplings to the el...
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| Udgivet i: | ACS Omega |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical Society
2020
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| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7689933/ https://ncbi.nlm.nih.gov/pubmed/33251463 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c04817 |
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