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Building insightful, memory-enriched models to capture long-time biochemical processes from short-time simulations
The ability to predict and understand complex molecular motions occurring over diverse timescales ranging from picoseconds to seconds and even hours in biological systems remains one of the largest challenges to chemical theory. Markov state models (MSMs), which provide a memoryless description of t...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
National Academy of Sciences
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041170/ https://www.ncbi.nlm.nih.gov/pubmed/36920924 http://dx.doi.org/10.1073/pnas.2221048120 |