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Further Development of the FFT-based Method for Atomistic Modeling of Protein Folding and Binding under Crowding: Optimization of Accuracy and Speed
[Image: see text] Recently, we (Qin, S.; Zhou, H. X. J. Chem. Theory Comput.2013, 9, 4633–4643) developed the FFT-based method for Modeling Atomistic Proteins–crowder interactions, henceforth FMAP. Given its potential wide use for calculating effects of crowding on protein folding and binding free e...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4095916/ https://www.ncbi.nlm.nih.gov/pubmed/25061446 http://dx.doi.org/10.1021/ct5001878 |