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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:, 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 and further explained in Carvalho’s PhD thesis (Reproducibility and reuse of experiments in eScience) in
Authors: Carvalho, Lucas Augusto Montalvão Costa
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
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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