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Efficient minimization of multipole electrostatic potentials in torsion space
The development of models of macromolecular electrostatics capable of delivering improved fidelity to quantum mechanical calculations is an active field of research in computational chemistry. Most molecular force field development takes place in the context of models with full Cartesian coordinate...
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| Publicado no: | PLoS One |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5895050/ https://ncbi.nlm.nih.gov/pubmed/29641557 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0195578 |
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