Divide-and-conquer approach to study protein tunnels in long molecular dynamics simulations

Nowadays, molecular dynamics (MD) simulations of proteins with hundreds of thousands of snapshots are commonly produced using modern GPUs. However, due to the abundance of data, analyzing transport tunnels present in the internal voids of these molecules, in all generated snapshots, has become chall...

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Detalles Bibliográficos
Autores principales: Sequeiros-Borja, Carlos, Surpeta, Bartlomiej, Marchlewski, Igor, Brezovsky, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Method Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9793300/
https://www.ncbi.nlm.nih.gov/pubmed/36582480
http://dx.doi.org/10.1016/j.mex.2022.101968

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9793300/
https://www.ncbi.nlm.nih.gov/pubmed/36582480
http://dx.doi.org/10.1016/j.mex.2022.101968

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