Cargando…
TSNet: predicting transition state structures with tensor field networks and transfer learning
Transition states are among the most important molecular structures in chemistry, critical to a variety of fields such as reaction kinetics, catalyst design, and the study of protein function. However, transition states are very unstable, typically only existing on the order of femtoseconds. The tra...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8317659/ https://www.ncbi.nlm.nih.gov/pubmed/34377396 http://dx.doi.org/10.1039/d1sc01206a |