Show simple item record

dc.contributor.authorBonomi, M.
dc.contributor.authorBussi, G.
dc.contributor.authorCamilloni, C.
dc.contributor.authorTribello, G.A.
dc.contributor.authorBanáš, P.
dc.contributor.authorBarducci, A.
dc.contributor.authorBernetti, M.
dc.contributor.authorBolhuis, P.G.
dc.contributor.authorBottaro, S.
dc.contributor.authorBranduardi, D.
dc.contributor.authorCapelli, R.
dc.contributor.authorCarloni, P.
dc.contributor.authorCeriotti, M.
dc.contributor.authorCesari, A.
dc.contributor.authorChen, H.
dc.contributor.authorChen, W.
dc.contributor.authorColizzi, F.
dc.contributor.authorDe, S.
dc.contributor.authorDe La Pierre, M.
dc.contributor.authorDonadio, D.
dc.contributor.authorDrobot, V.
dc.contributor.authorEnsing, B.
dc.contributor.authorFerguson, A.L.
dc.contributor.authorFilizola, M.
dc.contributor.authorFraser, J.S.
dc.contributor.authorFu, H.
dc.contributor.authorGasparotto, P.
dc.contributor.authorGervasio, F.L.
dc.contributor.authorGiberti, F.
dc.contributor.authorGil-Ley, A.
dc.contributor.authorGiorgino, T.
dc.contributor.authorHeller, G.T.
dc.contributor.authorHocky, G.M.
dc.contributor.authorIannuzzi, M.
dc.contributor.authorInvernizzi, M.
dc.contributor.authorJelfs, K.E.
dc.contributor.authorJussupow, A.
dc.contributor.authorKirilin, E.
dc.contributor.authorLaio, A.
dc.contributor.authorLimongelli, V.
dc.contributor.authorLindorff-Larsen, K.
dc.contributor.authorLöhr, T.
dc.contributor.authorMarinelli, F.
dc.contributor.authorMartin-Samos, L.
dc.contributor.authorMasetti, M.
dc.contributor.authorMeyer, R.
dc.contributor.authorMichaelides, A.
dc.contributor.authorMolteni, C.
dc.contributor.authorMorishita, T.
dc.contributor.authorNava, M.
dc.contributor.authorPaissoni, C.
dc.contributor.authorPapaleo, E.
dc.contributor.authorParrinello, M.
dc.contributor.authorPfaendtner, J.
dc.contributor.authorPiaggi, P.
dc.contributor.authorPiccini, G.M.
dc.contributor.authorPietropaolo, A.
dc.contributor.authorPietrucci, F.
dc.contributor.authorPipolo, S.
dc.contributor.authorProvasi, D.
dc.contributor.authorQuigley, D.
dc.contributor.authorRaiteri, Paolo
dc.contributor.authorRaniolo, S.
dc.contributor.authorRydzewski, J.
dc.contributor.authorSalvalaglio, M.
dc.contributor.authorSosso, G.C.
dc.contributor.authorSpiwok, V.
dc.contributor.authorŠponer, J.
dc.contributor.authorSwenson, D.W.H.
dc.contributor.authorTiwary, P.
dc.contributor.authorValsson, O.
dc.contributor.authorVendruscolo, M.
dc.contributor.authorVoth, G.A.
dc.contributor.authorWhite, A.
dc.date.accessioned2019-12-02T05:04:14Z
dc.date.available2019-12-02T05:04:14Z
dc.date.issued2019
dc.identifier.citationBonomi, M. and Bussi, G. and Camilloni, C. and Tribello, G.A. and Banáš, P. and Barducci, A. and Bernetti, M. et al. 2019. Promoting transparency and reproducibility in enhanced molecular simulations. Nature Methods. 16 (8): pp. 670-673.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/77070
dc.identifier.doi10.1038/s41592-019-0506-8
dc.description.abstract

© 2019, Springer Nature America, Inc. The PLUMED consortium unifies developers and contributors to PLUMED, an open-source library for enhanced-sampling, free-energy calculations and the analysis of molecular dynamics simulations. Here, we outline our efforts to promote transparency and reproducibility by disseminating protocols for enhanced-sampling molecular simulations.

dc.languageEnglish
dc.publisherNATURE PUBLISHING GROUP
dc.subjectScience & Technology
dc.subjectLife Sciences & Biomedicine
dc.subjectBiochemical Research Methods
dc.subjectBiochemistry & Molecular Biology
dc.subjectDYNAMICS
dc.titlePromoting transparency and reproducibility in enhanced molecular simulations
dc.typeJournal Article
dcterms.source.volume16
dcterms.source.number8
dcterms.source.startPage670
dcterms.source.endPage673
dcterms.source.issn1548-7091
dcterms.source.titleNature Methods
dc.date.updated2019-12-02T05:04:14Z
curtin.departmentSchool of Molecular and Life Sciences (MLS)
curtin.accessStatusFulltext not available
curtin.facultyFaculty of Science and Engineering
dcterms.source.eissn1548-7105
dc.date.embargoEnd2020-01-30


Files in this item

Thumbnail
Thumbnail

This item appears in the following Collection(s)

Show simple item record