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Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides
[Image: see text] The application of machine learning to theoretical chemistry has made it possible to combine the accuracy of quantum chemical energetics with the thorough sampling of finite-temperature fluctuations. To reach this goal, a diverse set of methods has been proposed, ranging from simpl...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8908737/ https://www.ncbi.nlm.nih.gov/pubmed/35179897 http://dx.doi.org/10.1021/acs.jctc.1c00813 |