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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/121068
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dc.contributor.authorIvani, Ivan-
dc.contributor.authorDans, Pablo D.-
dc.contributor.authorNoy Freixa, Agnès-
dc.contributor.authorPérez, Alberto-
dc.contributor.authorFaustino Pló, Ignacio-
dc.contributor.authorHospital Gasch, Adam-
dc.contributor.authorWalther, Jürgen-
dc.contributor.authorAndrio, Pau-
dc.contributor.authorGoñi Macià, Josep Ramon-
dc.contributor.authorBalaceanu, Alexandra-
dc.contributor.authorPortella, Guillem-
dc.contributor.authorBattistini, Federica-
dc.contributor.authorGelpí Buchaca, Josep Lluís-
dc.contributor.authorGonzález, Carlos-
dc.contributor.authorVendruscolo, Michele-
dc.contributor.authorLaughton, Charles A.-
dc.contributor.authorHarris, Sarah A.-
dc.contributor.authorCase, David A.-
dc.contributor.authorOrozco López, Modesto-
dc.date.accessioned2018-03-23T12:34:58Z-
dc.date.available2018-03-23T12:34:58Z-
dc.date.issued2016-01-
dc.identifier.issn1548-7091-
dc.identifier.urihttps://hdl.handle.net/2445/121068-
dc.description.abstractWe 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/.-
dc.format.extent4 p.-
dc.format.mimetypeapplication/pdf-
dc.language.isoeng-
dc.publisherNature Publishing Group-
dc.relation.isformatofVersió postprint del document publicat a: https://doi.org/10.1038/nmeth.3658-
dc.relation.ispartofNature Methods, 2016, num. 13, p. 55-58-
dc.relation.urihttps://doi.org/10.1038/nmeth.3658-
dc.rights(c) Ivani, Ivan et al., 2016-
dc.sourceArticles publicats en revistes (Bioquímica i Biomedicina Molecular)-
dc.subject.classificationBiofísica-
dc.subject.classificationADN-
dc.subject.otherBiophysics-
dc.subject.otherDNA-
dc.titleParmbsc1: A refined force-field for DNA simulations-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/acceptedVersion-
dc.identifier.idgrec655215-
dc.date.updated2018-03-23T12:34:58Z-
dc.relation.projectIDinfo:eu-repo/grantAgreement/EC/H2020/675728/EU//BioExcel-
dc.relation.projectIDinfo:eu-repo/grantAgreement/EC/FP7/291433/EU//SIMDNA-
dc.relation.projectIDinfo:eu-repo/grantAgreement/EC/H2020/654812/EU//HoogsCG-
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess-
dc.identifier.pmid26569599-
Appears in Collections:Articles publicats en revistes (Bioquímica i Biomedicina Molecular)
Articles publicats en revistes (Institut de Recerca Biomèdica (IRB Barcelona))

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