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Recent advances in QM/MM free energy calculations using reference potentials()
BACKGROUND: Recent years have seen enormous progress in the development of methods for modeling (bio)molecular systems. This has allowed for the simulation of ever larger and more complex systems. However, as such complexity increases, the requirements needed for these models to be accurate and phys...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier Pub. Co
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4547088/ https://www.ncbi.nlm.nih.gov/pubmed/25038480 http://dx.doi.org/10.1016/j.bbagen.2014.07.008 |