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Addressing the Embeddability Problem in Transition Rate Estimation
[Image: see text] Markov State Models (MSM) and related techniques have gained significant traction as a tool for analyzing and guiding molecular dynamics (MD) simulations due to their ability to extract structural, thermodynamic, and kinetic information on proteins using computationally feasible MD...
Autores principales: | Goolsby, Curtis, Losey, James, Fakharzadeh, Ashkan, Xu, Yuchen, Düker, Marie-Christine, Getmansky Sherman, Mila, Matteson, David S., Moradi, Mahmoud |
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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/PMC10350963/ https://www.ncbi.nlm.nih.gov/pubmed/37381078 http://dx.doi.org/10.1021/acs.jpca.3c01367 |
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