Parmbsc1: a refined force field for dna simulations

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 ms) covering most of dna structural space. Parmbsc1 provides high-quality results in diverse systems.

Ivan II, Dans PD, Noy A, Perez A, Faustino I, Hopsital A, Walther J, Andrio P, Goni R, Balaceanu A, Portella G, Battistini F, Gelpi JL, Gomez-Pinto I, Gonzalez C, Vendruscolo M, Laughton CA, Harris SA, Case, Orozco M. “Parmbsc1: a refined force-field for DNA simulations” Nature Methods, (2016), 13, 55. DOI:10.1038/nmeth.3658

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