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Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field
Computational protein design, ab initio protein/RNA folding, and protein-ligand screening can be too computationally demanding for explicit treatment of solvent. For these applications, implicit solvent offers a compelling alternative, which we describe here for the polarizable atomic multipole AMOE...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8126468/ https://ncbi.nlm.nih.gov/pubmed/33769814 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01286 |
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