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Flexible Gaussian Accelerated Molecular Dynamics to Enhance Biological Sampling
[Image: see text] Molecular dynamics simulations often struggle to obtain sufficient sampling to study complex molecular events due to high energy barriers separating the minima of interest. Multiple enhanced sampling techniques have been developed and improved over the years to tackle this issue. G...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10536968/ https://www.ncbi.nlm.nih.gov/pubmed/37649349 http://dx.doi.org/10.1021/acs.jctc.3c00619 |