Parmbsc1: A refined force-field for DNA simulations

Vista senzilla d'ítem
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.date.updated2018-03-23T12:34:58Z
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.identifier.idgrec655215
dc.identifier.issn1548-7091
dc.identifier.pmid26569599
dc.identifier.urihttps://hdl.handle.net/2445/121068
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.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.relation.urihttps://doi.org/10.1038/nmeth.3658
dc.rights(c) Ivani, Ivan et al., 2016
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
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

Fitxers

Paquet original

Mostrant 1 - 1 de 1
Miniatura
Nom:
655215.pdf
Mida:
3.9 MB
Format:
Adobe Portable Document Format
Descarregar

Col·leccions

Articles publicats en revistes (Bioquímica i Biomedicina Molecular)
Articles publicats en revistes (Institut de Recerca Biomèdica (IRB Barcelona))