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A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics.
Purawat S, Ieong PU, Malmstrom RD, Chan GJ, Yeung AK, Walker RC, Altintas I, Amaro RE. Purawat S, et al. Among authors: ieong pu. Biophys J. 2017 Jun 20;112(12):2469-2474. doi: 10.1016/j.bpj.2017.04.055. Biophys J. 2017. PMID: 28636905 Free PMC article.
A demonstration of modularity, reuse, reproducibility, portability and scalability for modeling and simulation of cardiac electrophysiology using Kepler Workflows.
Yang PC, Purawat S, Ieong PU, Jeng MT, DeMarco KR, Vorobyov I, McCulloch AD, Altintas I, Amaro RE, Clancy CE. Yang PC, et al. Among authors: ieong pu. PLoS Comput Biol. 2019 Mar 8;15(3):e1006856. doi: 10.1371/journal.pcbi.1006856. eCollection 2019 Mar. PLoS Comput Biol. 2019. PMID: 30849072 Free PMC article.