期刊
NATURE METHODS
卷 13, 期 1, 页码 55-+出版社
NATURE PORTFOLIO
DOI: 10.1038/NMETH.3658
关键词
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资金
- Spanish Ministry of Science [BIO2012-32868]
- Catalan SGR
- Instituto Nacional de Bioinformatica
- European Research Council (ERC Sim DNA)
- UK HECBioSim Consortium [EP-L000253-1]
- Biotechnology and Biological Sciences Research Council (BBSRC) [BB-I019294-1]
- EPSRC [EP/L000253/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/L000253/1] Funding Source: researchfish
We present parmbsc1, a force field for DNA atomistic simulation, which has been parameterized from high-level quantum mechanical data and tested for nearly 100 systems (representing a total simulation time of similar to 140 mu s) covering most of DNA structural space. Parmbsc1 provides high-quality results in diverse systems. Parameters and trajectories are available at http://mmb.irbbarcelona.org/ParmBSCBSCBSC1/.
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