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Accelerating Protein Folding Molecular Dynamics Using Inter-Residue Distances from Machine Learning Servers
[Image: see text] Recently, predicting the native structures of proteins has become possible using computational molecular physics (CMP)—physics-based force fields sampled with proper statistics—but only for small proteins. Algorithms with better scaling are needed. We describe ML x MELD x MD, a mol...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281603/ https://www.ncbi.nlm.nih.gov/pubmed/35133832 http://dx.doi.org/10.1021/acs.jctc.1c00916 |