2026-04-13T05:46:19Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/1210682025-12-04T21:16:13Zcom_2072_1057col_2072_478781col_2072_478908col_2072_478917

00925njm 22002777a 4500 dc Ivani, Ivan author Dans, Pablo D. author Noy Freixa, Agnès author Pérez, Alberto author Faustino Pló, Ignacio author Hospital Gasch, Adam author Walther, Jürgen author Andrio, Pau author Goñi Macià, Josep Ramon author Balaceanu, Alexandra author Portella, Guillem author Battistini, Federica author Gelpí Buchaca, Josep Lluís author González, Carlos author Vendruscolo, Michele author Laughton, Charles A. author Harris, Sarah A. author Case, David A. author Orozco López, Modesto author 2018-03-23T12:34:58Z 2018-03-23T12:34:58Z 2016-01 2018-03-23T12:34:58Z 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/. Biofísica ADN Biophysics DNA Parmbsc1: A refined force-field for DNA simulations