Parmbsc1: A refined force-field for DNA simulations

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Title:	Parmbsc1: A refined force-field for DNA simulations
Author:	Ivani, Ivan; Dans, Pablo D.; Noy, Agnes; Pérez, Alberto; Faustino Pló, Ignacio; Hospital Gasch, Adam; Walther, Jürgen; Andrio, Pau; Goñi Macià, Josep Ramon; Balaceanu, Alexandra; Portella, Guillem; Battistini, Federica; Gelpí Buchaca, Josep Lluís; González, Carlos; Vendruscolo, Michele; Laughton, Charles A.; Harris, Sarah A.; Case, David A.; Orozco López, Modesto
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(s):	-Biofísica -ADN -Biophysics -DNA
Rights:	(c) Ivani, Ivan et al., 2016
Document type:	Article Article - Accepted version
Published by:	Nature Publishing Group
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