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Available workflows include Molecular Dynamics setup, protein-ligand docking, trajectory analyses and small molecule parameterization. Workflows can be launched in the platform or downloaded to be run in the users\u2019 own premises. Remote launching of long executions to user's available High-Performance computers is possible, only requiring configuration of the appropriate access credentials. The web-based graphical user interface offers a high level of interactivity, with integration with the NGL viewer to visualize and check 3D structures, MDsrv to visualize trajectories, and Plotly to explore 2D plots. The server requires no login but is recommended to store the users\u2019 projects and manage sensitive information such as remote credentials. Private projects can be made public and shared with colleagues with a simple URL. The tool will help biomolecular simulation users with the most common and repetitive processes by means of a very intuitive and interactive graphical user interface. The server is accessible at\u00a0https:\/\/mmb.irbbarcelona.org\/biobb-wfs.<\/jats:p>","DOI":"10.1093\/nar\/gkac380","type":"journal-article","created":{"date-parts":[[2022,5,2]],"date-time":"2022-05-02T11:13:59Z","timestamp":1651490039000},"page":"W99-W107","source":"Crossref","is-referenced-by-count":13,"title":["BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations"],"prefix":"10.1093","volume":"50","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0513-0288","authenticated-orcid":false,"given":"Gen\u00eds","family":"Bayarri","sequence":"first","affiliation":[{"name":"Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2116-3880","authenticated-orcid":false,"given":"Pau","family":"Andrio","sequence":"additional","affiliation":[{"name":"Barcelona Supercomputing Center (BSC) , Jordi Girona 29, 08034, Barcelona, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8291-8071","authenticated-orcid":false,"given":"Adam","family":"Hospital","sequence":"additional","affiliation":[{"name":"Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8608-3278","authenticated-orcid":false,"given":"Modesto","family":"Orozco","sequence":"additional","affiliation":[{"name":"Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain"},{"name":"Department of Biochemistry and Molecular Biology, University of Barcelona , 08028 Barcelona , Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0566-7723","authenticated-orcid":false,"given":"Josep\u00a0Llu\u00eds","family":"Gelp\u00ed","sequence":"additional","affiliation":[{"name":"Barcelona Supercomputing Center (BSC) , Jordi Girona 29, 08034, Barcelona, Spain"},{"name":"Department of Biochemistry and Molecular Biology, University of Barcelona , 08028 Barcelona , Spain"}]}],"member":"286","published-online":{"date-parts":[[2022,5,26]]},"reference":[{"key":"2022070423572871600_B1","doi-asserted-by":"crossref","first-page":"585","DOI":"10.1038\/267585a0","article-title":"Dynamics of folded proteins","volume":"267","author":"McCammon","year":"1977","journal-title":"Nature"},{"issue":"Suppl. 3","key":"2022070423572871600_B2","doi-asserted-by":"crossref","first-page":"S169","DOI":"10.1098\/rsif.2008.0385.focus","article-title":"Introduction. 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