| dc.contributor | Medeiros,Claudia Maria Bauzer | |
| dc.contributor | Medeiros,Claudia Maria Bauzer | |
| dc.creator | Carvalho, Lucas Augusto Montalvão Costa | |
| dc.date.accessioned | 2022-12-16T13:22:15Z | |
| dc.date.available | 2022-12-16T13:22:15Z | |
| dc.identifier | https://doi.org/10.25824/redu/KX3EYF | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/5363112 | |
| dc.description | This is a workflow research object (WRO) created using the Taverna system robundle API. This WRO encapsulates all artifacts needed to reproduce the molecular dynamics experiment published in Silveira, R.L. and Skaf, M. S. Molecular Dynamics Simulations of Family 7 Cellobiohydrolase Mutants Aimed at Reducing Product Inhibition. J. Phys. Chem. B 119, 9295-9303 (2015). DOI: https://doi.org/10.1021/jp509911m, The WRO contains the input data for that experiment, and the encapsulated workflow runs in the Taverna workflow system. The structure and contents of this WRO are documented in https://lucasaugustomcc.github.io/s2rwro/ and further explained in Carvalho’s PhD thesis (Reproducibility and reuse of experiments in eScience) in https://hdl.handle.net/20.500.12733/1635322 | |
| dc.language | English | |
| dc.publisher | Repositório de Dados de Pesquisa da Unicamp | |
| dc.subject | Chemistry | |
| dc.subject | Computer and Information Science | |
| dc.subject | Scientific workflows | |
| dc.subject | Reproducibility in eScience | |
| dc.subject | Molecular dynamics | |
| dc.subject | Chemistry | |
| dc.title | Workflow research object for a molecular dynamics simulation | |
| dc.type | Bundle of workflow + data package for scientific reproducibility | |
