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Webinar: Molecular simulation control and extension with gmxapi for GROMACS. (2018-09-19)

By |2022-11-03T09:58:12+01:00September 4, 2018|Webinars|

 BioExcel’s webinar series continue with a presentation by Eric [...]

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State-of-the-art MD simulations reveal effects of molecular regulators on enzymatic activity

By |2022-11-03T09:58:17+01:00April 28, 2017|Featured, Latest News, Success stories|

BioExcel partners at the Institute for Research in Biomedicine IRB [...]

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Workflows

By |2020-05-06T15:25:20+01:00April 25, 2017|

Scientific workflow systems are popular for organising and executing analytical [...]

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Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

By |2022-11-03T09:58:19+01:00September 26, 2016|Publications|

We are delighted to announce the publication of this paper, [...]

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