Implementation of Telescoping Boxes in Adaptive Steered Molecular Dynamics

[Image: see text] Long-time dynamical processes, such as those involving protein unfolding and ligand interactions, can be accelerated and realized through steered molecular dynamics (SMD). The challenge has been the extraction of information from such simulations that generalize for complex nonequi...

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Detalles Bibliográficos
Autores principales: Zhuang, Yi, Thota, Nikhil, Quirk, Stephen, Hernandez, Rigoberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9369075/
https://www.ncbi.nlm.nih.gov/pubmed/35830368
http://dx.doi.org/10.1021/acs.jctc.2c00498

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9369075/
https://www.ncbi.nlm.nih.gov/pubmed/35830368
http://dx.doi.org/10.1021/acs.jctc.2c00498

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