Scalable molecular dynamics on CPU and GPU architectures with NAMD

NAMD is a molecular dynamics program designed for high-performance simulations of very large biological objects on CPU- and GPU-based architectures. NAMD offers scalable performance on petascale parallel supercomputers consisting of hundreds of thousands of cores, as well as on inexpensive commodity...

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Detalhes bibliográficos
Publicado no:J Chem Phys
Main Authors: Phillips, James C., Hardy, David J., Maia, Julio D. C., Stone, John E., Ribeiro, João V., Bernardi, Rafael C., Buch, Ronak, Fiorin, Giacomo, Hénin, Jérôme, Jiang, Wei, McGreevy, Ryan, Melo, Marcelo C. R., Radak, Brian K., Skeel, Robert D., Singharoy, Abhishek, Wang, Yi, Roux, Benoît, Aksimentiev, Aleksei, Luthey-Schulten, Zaida, Kalé, Laxmikant V., Schulten, Klaus, Chipot, Christophe, Tajkhorshid, Emad
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2020
Assuntos:
ARTICLES
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7395834/
https://ncbi.nlm.nih.gov/pubmed/32752662
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0014475
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