Abstract
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 ∼140 1/4s) covering most of DNA structural space. Parmbsc1 provides high-quality results in diverse systems. Parameters and trajectories are available at http://mmb.irbbarcelona.org/ParmBSC1/.
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CITATION STYLE
APA
Ivani, I., Dans, P. D., Noy, A., Pérez, A., Faustino, I., Hospital, A., … Orozco, M. (2015). Parmbsc1: A refined force field for DNA simulations. Nature Methods, 13(1), 55–58. https://doi.org/10.1038/nmeth.3658
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