The Archive and Package (arcp) URI scheme
Abstract The arcp URI scheme is introduced for location-independent identifiers to consume or reference hypermedia and linked data resources bundled inside a file
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AuthorMichelle Mendonca
The BioExcel/PDBe Hackathon: in situ development of computational resources
One month after the BioExcel/PDBe Hackathon, Diego, Panos and Brian share their insights about the event. Nowadays, structural biologist is synonym of user of the
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GROmaρs: a GROMACS-based toolset to analyse density maps derived from molecular dynamics simulations
Abstract We introduce a computational toolset, named GROmaρs, to obtain and compare time-averaged density maps from molecular dynamics (MD) simulations. GROmaρs efficiently computes
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New 2018 European HPC Handbook released
The new 2018 European HPC Handbook has been published by ETP4HPC and EXDCI2. With Europe establishing itself as a world-class HPC ecosystem, there
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GROMACS 2018 workshop in Gottingen
The 2018 GROMACS workshop was held in Gottingen aimed at people willing to develop new tools for GROMACS, as well as at experienced users
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An enhanced-sampling MD-based protocol for molecular docking
This paper was published in BioRxiv in October 2018. Abstract Understanding molecular recognition of proteins by small molecules is key for drug design.
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