Accelerators for Classical Molecular Dynamics Simulations of Biomolecules

[Image: see text] Atomistic Molecular Dynamics (MD) simulations provide researchers the ability to model biomolecular structures such as proteins and their interactions with drug-like small molecules with greater spatiotemporal resolution than is otherwise possible using experimental methods. MD sim...

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Detalles Bibliográficos
Autores principales: Jones, Derek, Allen, Jonathan E., Yang, Yue, Drew Bennett, William F., Gokhale, Maya, Moshiri, Niema, Rosing, Tajana S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281402/
https://www.ncbi.nlm.nih.gov/pubmed/35710099
http://dx.doi.org/10.1021/acs.jctc.1c01214

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281402/
https://www.ncbi.nlm.nih.gov/pubmed/35710099
http://dx.doi.org/10.1021/acs.jctc.1c01214

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