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Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
An overview is provided on the development and status of potential energy functions that are used in atomic-level statistical mechanics and molecular dynamics simulations of water and of organic and biomolecular systems. Some topics that are considered are the form of force fields, their parameteriz...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
2005
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1100738/ https://ncbi.nlm.nih.gov/pubmed/15870211 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408037102 |
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