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Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations
Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applications, there have been growing demands on developing polarizable force fields for handling more complicated biomolecular...
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| Udgivet i: | J Chem Phys |
|---|---|
| Main Authors: | , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
AIP Publishing LLC
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7502018/ https://ncbi.nlm.nih.gov/pubmed/32962395 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0019560 |
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