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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Public Library of Science
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5895050/ https://www.ncbi.nlm.nih.gov/pubmed/29641557 http://dx.doi.org/10.1371/journal.pone.0195578 |