| dc.contributor.author |
Alcântara, Amadeus Cavalcanti Salvador de |
|
| dc.contributor.author |
Felix, Levi da Costa |
|
| dc.contributor.author |
Galvão, Douglas Soares |
|
| dc.contributor.author |
Skaf, Munir Salomão |
|
| dc.contributor.author |
Sollero, Paulo |
|
| dc.date |
2022-05-31 |
|
| dc.date.accessioned |
2022-05-30 |
|
| dc.identifier.uri |
https://doi.org/10.25824/redu/3AKXGZ |
|
| dc.identifier.uri |
https://redu.unicamp.br/dataset.xhtml?persistentId=doi:10.25824/redu/3AKXGZ |
|
| dc.description |
These 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 Biomacromolecules 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.description.sponsorship |
Fundação de Amparo à Pesquisa do Estado de São Paulo |
|
| dc.description.sponsorship |
Fundação de Amparo à Pesquisa do Estado de São Paulo |
|
| dc.format |
application/x-rar-compressed |
|
| dc.publisher |
Cavalcanti Salvador de Alcântara, Amadeus |
|
| dc.subject |
Chemistry |
|
| dc.subject |
Engineering |
|
| dc.subject |
Medicine, Health and Life Sciences |
|
| dc.title |
Supporting information for bone at the nanoscale: |
|
| dc.description.sponsorshipId |
FAPESP: 18/18503-2 |
|
| dc.description.sponsorshipId |
FAPESP: 18/11352-9 |
|