Supporting information for bone at the nanoscale:

dc.contributorCavalcanti Salvador de Alcântara, Amadeus
dc.creatorAlcântara, Amadeus Cavalcanti Salvador de
dc.creatorFelix, Levi da Costa
dc.creatorGalvão, Douglas Soares
dc.creatorSkaf, Munir Salomão
dc.creatorSollero, Paulo
dc.date.accessioned2022-12-16T13:21:38Z
dc.date.available2022-12-16T13:21:38Z
dc.identifierhttps://doi.org/10.25824/redu/3AKXGZ
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/5363057
dc.descriptionThese files and scripts belong to the Supporting Information of the article: Bone at the Nanoscale: The role of the extra-fibrillar volume on the mechanical properties of all-atom fiber molecular models Amadeus C. S. de Alcântara, Levi C. Felix, Douglas S. Galvão, Paulo Sollero, Munir S. Skaf ACS Biomaterials Science & Engineering 2022 The article, together with these files, aims to provide a detailed prescription on how to convert our Bone Fiber Models equilibrated by about ~100 ns in NAMD to LAMMPS, how to further equilibrate them, and how to perform MD simulation tensile tests using LAMMPS.
dc.publisherRepositório de Dados de Pesquisa da Unicamp
dc.subjectChemistry
dc.subjectEngineering
dc.subjectMedicine, Health and Life Sciences
dc.subjectAll-atom bone molecular models
dc.subjectBone nanoscale models
dc.subjectBone mechanical properties
dc.subjectMolecular dynamics
dc.subjectCollagen fiber
dc.subjectExtra-fibrillar volume
dc.subjectHydroxyapatite
dc.titleSupporting information for bone at the nanoscale:


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