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...

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Detaylı Bibliyografya
Yayımlandı:Nat Methods
Asıl Yazarlar: 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
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: 2015
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Article
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC4700514/
https://ncbi.nlm.nih.gov/pubmed/26569599
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nmeth.3658
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