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Article

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Accepted version

Publication date

2016-01

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/121068

Parmbsc1: A refined force-field for DNA simulations

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https://doi.org/10.1038/nmeth.3658

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 μs) 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/.

Subject

Biofísica, ADN

Subject (English)

Biophysics, DNA

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Articles publicats en revistes (Bioquímica i Biomedicina Molecular)
Articles publicats en revistes (Institut de Recerca Biomèdica (IRB Barcelona))

Citation

IVANI, Ivan, et al. Parmbsc1: A refined force-field for DNA simulations. Nature Methods. 2016. Vol. 13, num. 55-58. ISSN 1548-7091. [consulted: 15 of August of 2026]. Available at: https://hdl.handle.net/2445/121068

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