A molecular fragment cheminformatics roadmap for mesoscopic simulation

BACKGROUND: Mesoscopic simulation studies the structure, dynamics and properties of large molecular ensembles with millions of atoms: Its basic interacting units (beads) are no longer the nuclei and electrons of quantum chemical ab-initio calculations or the atom types of molecular mechanics but mol...

Descripción completa

Detalles Bibliográficos
Autores principales: Truszkowski, Andreas, Daniel, Mirco, Kuhn, Hubert, Neumann, Stefan, Steinbeck, Christoph, Zielesny, Achim, Epple, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2014
Materias:
Methodology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4212157/
https://www.ncbi.nlm.nih.gov/pubmed/25383098
http://dx.doi.org/10.1186/s13321-014-0045-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4212157/
https://www.ncbi.nlm.nih.gov/pubmed/25383098
http://dx.doi.org/10.1186/s13321-014-0045-3

Ejemplares similares