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Identification of correlated inter-residue interactions in protein complex based on the fragment molecular orbital method
A theoretical scheme to systematically describe correlated (network-like) interactions between molecular fragments is proposed within the framework of the fragment molecular orbital (FMO) method. The method is mathematically based on the singular value decomposition (SVD) of the inter-fragment inter...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier Inc.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7346800/ https://www.ncbi.nlm.nih.gov/pubmed/32707520 http://dx.doi.org/10.1016/j.jmgm.2020.107650 |