PARMBSC1: A REFINED FORCE-FIELD FOR DNA SIMULATIONS

We present parmbsc1, a new force-field for DNA atomistic simulation, which has been parameterized from high-level quantum mechanical data and tested for nearly 100 systems (~140 μs) covering most of the DNA structural space. Parmbsc1 provides high quality results in diverse systems, solving problems...

Descripción completa

Detalles Bibliográficos
Autores principales: Ivani, Ivan, Dans, Pablo D., Noy, Agnes, Pérez, Alberto, Faustino, Ignacio, Hospital, Adam, Walther, Jürgen, Andrio, Pau, Goñi, Ramon, Balaceanu, Alexandra, Portella, Guillem, Battistini, Federica, Gelpí, Josep Lluis, González, Carlos, Vendruscolo, Michele, Laughton, Charles A., Harris, Sarah A., Case, David A., Orozco, Modesto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4700514/
https://www.ncbi.nlm.nih.gov/pubmed/26569599
http://dx.doi.org/10.1038/nmeth.3658

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4700514/
https://www.ncbi.nlm.nih.gov/pubmed/26569599
http://dx.doi.org/10.1038/nmeth.3658

Ejemplares similares