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Development and Validation of the Quantum Mechanical Bespoke Protein Force Field
[Image: see text] Molecular mechanics force field parameters for macromolecules, such as proteins, are traditionally fit to reproduce experimental properties of small molecules, and thus, they neglect system-specific polarization. In this paper, we introduce a complete protein force field that is de...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6740169/ https://www.ncbi.nlm.nih.gov/pubmed/31528808 http://dx.doi.org/10.1021/acsomega.9b01769 |