Review of Electrostatic Force Calculation Methods and Their Acceleration in Molecular Dynamics Packages Using Graphics Processors

[Image: see text] Molecular dynamics (MD) simulations probe the conformational repertoire of macromolecular systems using Newtonian dynamic equations. The time scales of MD simulations allow the exploration of biologically relevant phenomena and can elucidate spatial and temporal properties of the b...

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Detalles Bibliográficos
Autores principales: George, Anu, Mondal, Sandip, Purnaprajna, Madhura, Athri, Prashanth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9494432/
https://www.ncbi.nlm.nih.gov/pubmed/36157750
http://dx.doi.org/10.1021/acsomega.2c03189

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9494432/
https://www.ncbi.nlm.nih.gov/pubmed/36157750
http://dx.doi.org/10.1021/acsomega.2c03189

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