PARMBSC1: A REFINED FORCE-FIELD FOR DNA SIMULATIONS

By Iván Ivani, P. Dans, A. Noy, Alberto Pérez, Ignacio Faustino, Adam Hospital, Jürgen Walther, P. Andrio, R. Goni, Alexandra Balaceanu and 9 more. Nature Methods, 2015

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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/.

Subfields: Atomic and Molecular Physics, and Optics, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/df4d15f2921c2fe887ff156a46f8ad99374a45b8