Ivani, I, Dans, PD, Noy, A et al. (16 more authors) (2016) Parmbsc1: a refined force field for DNA simulations. Nature Methods, 13 (1). pp. 55-58. ISSN 1548-7091
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/.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2015, Author(s). This is an author produced version of a paper published in Nature Methods. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Physics and Astronomy (Leeds) > Theoretical Physics (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 26 May 2016 10:35 |
Last Modified: | 05 Nov 2017 16:52 |
Published Version: | http://dx.doi.org/10.1038/NMETH.3658 |
Status: | Published |
Publisher: | Nature Publishing Group |
Identification Number: | 10.1038/NMETH.3658 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:100211 |