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Performance of Protein-Ligand Force Fields for the Flavodoxin - Flavin Mononucleotide System
The ability to accurately perform molecular dynamics and free energy perturbation calculations for protein-ligand systems is of broad interest to the biophysical and pharmaceutical sciences. In this work, several popular force fields are evaluated for reproducing experimental properties of the flavo...
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| Publicat a: | J Phys Chem Lett |
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| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2016
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5813475/ https://ncbi.nlm.nih.gov/pubmed/27441982 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.6b01229 |
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