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Machine learning of correlated dihedral potentials for atomistic molecular force fields
Computer simulation increasingly complements experimental efforts to describe nanoscale structure formation. Molecular mechanics simulations and related computational methods fundamentally rely on the accuracy of classical atomistic force fields for the evaluation of inter- and intramolecular energi...
Gorde:
| Argitaratua izan da: | Sci Rep |
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| Egile Nagusiak: | , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Nature Publishing Group UK
2018
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5803249/ https://ncbi.nlm.nih.gov/pubmed/29416116 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-21070-0 |
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