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AMOEBA+ Classical Potential for Modeling Molecular Interactions
Classical potentials based on isotropic and additive atomic charges have been widely used to model molecules in computers for the past few decades. The crude approximations in the underlying physics are hindering both their accuracy and transferability across chemical and physical environments. Here...
Gardado en:
| Publicado en: | J Chem Theory Comput |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2019
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6615954/ https://ncbi.nlm.nih.gov/pubmed/31136175 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00261 |
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