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...

詳細記述

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書誌詳細
出版年:Nat Methods
主要な著者: 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
フォーマット: Artigo
言語:Inglês
出版事項: 2015
主題:
Article
オンライン･アクセス: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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