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Solving the scalability issue in quantum-based refinement: Q|R#1
Accurately refining biomacromolecules using a quantum-chemical method is challenging because the cost of a quantum-chemical calculation scales approximately as n(m), where n is the number of atoms and m (≥3) is based on the quantum method of choice. This fundamental problem means that quantum-chemic...
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| Publicado no: | Acta Crystallogr D Struct Biol |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
International Union of Crystallography
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5713877/ https://ncbi.nlm.nih.gov/pubmed/29199981 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2059798317016746 |
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