Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure

[Image: see text] Interdependence across time and length scales is common in biology, where atomic interactions can impact larger-scale phenomenon. Such dependence is especially true for a well-known cancer signaling pathway, where the membrane-bound RAS protein binds an effector protein called RAF....

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Detalles Bibliográficos
Autores principales: Ingólfsson, Helgi I., Bhatia, Harsh, Aydin, Fikret, Oppelstrup, Tomas, López, Cesar A., Stanton, Liam G., Carpenter, Timothy S., Wong, Sergio, Di Natale, Francesco, Zhang, Xiaohua, Moon, Joseph Y., Stanley, Christopher B., Chavez, Joseph R., Nguyen, Kien, Dharuman, Gautham, Burns, Violetta, Shrestha, Rebika, Goswami, Debanjan, Gulten, Gulcin, Van, Que N., Ramanathan, Arvind, Van Essen, Brian, Hengartner, Nicolas W., Stephen, Andrew G., Turbyville, Thomas, Bremer, Peer-Timo, Gnanakaran, S., Glosli, James N., Lightstone, Felice C., Nissley, Dwight V., Streitz, Frederick H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10173464/
https://www.ncbi.nlm.nih.gov/pubmed/37075065
http://dx.doi.org/10.1021/acs.jctc.2c01018

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