Sampling of Protein Conformational Space Using Hybrid Simulations: A Critical Assessment of Recent Methods

Recent years have seen several hybrid simulation methods for exploring the conformational space of proteins and their complexes or assemblies. These methods often combine fast analytical approaches with computationally expensive full atomic molecular dynamics (MD) simulations with the goal of rapidl...

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Detalles Bibliográficos
Autores principales: Kaynak, Burak T., Krieger, James M., Dudas, Balint, Dahmani, Zakaria L., Costa, Mauricio G. S., Balog, Erika, Scott, Ana Ligia, Doruker, Pemra, Perahia, David, Bahar, Ivet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8855042/
https://www.ncbi.nlm.nih.gov/pubmed/35187088
http://dx.doi.org/10.3389/fmolb.2022.832847

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8855042/
https://www.ncbi.nlm.nih.gov/pubmed/35187088
http://dx.doi.org/10.3389/fmolb.2022.832847

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