Please use this identifier to cite or link to this item:
https://doi.org/10.25824/redu/KX3EYF
DOI: | https://doi.org/10.25824/redu/KX3EYF |
Title: | Workflow research object for a molecular dynamics simulation |
Subject: | Chemistry;Computer and Information Science |
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 http://repositorio.unicamp.br/jspui/handle/REPOSIP/333317 |
Authors: | Carvalho, Lucas Augusto Montalvão Costa |
URI: | https://doi.org/10.25824/redu/KX3EYF https://redu.unicamp.br/dataset.xhtml?persistentId=doi:10.25824/redu/KX3EYF |
Other Identifiers: | |
Sponsorship: | Fundação de Amparo à Pesquisa do Estado de São Paulo Fundação de Amparo à Pesquisa do Estado de São Paulo Fundação de Amparo à Pesquisa do Estado de São Paulo Conselho Nacional de Desenvolvimento Científico e Tecnológico |
Sponsor ID: | FAPESP: 2017/03570-3 FAPESP: 2014/23861-4 FAPESP: 2013/08293-7 CNPq: 305110/2016-0 |
Rights: | |
Date: | 26-Nov-2019 |
Available Data: | |
Format: | application/octet-stream |
Type: | Bundle of workflow + data package for scientific reproducibility |
Publisher: | Medeiros,Claudia Maria Bauzer |
Language : | English |
Appears in Collections: | Repositório de Dados de Pesquisa da UNICAMP |
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