FAIR Principles: Interpretations and Implementation Considerations
We introduce the concept of FAIR implementation considerations to assist accelerated global participation and convergence towards accessible, robust, widespread and consistent FAIR implementations. Any self-identified stakeholder community may either choose to reuse solutions from existing implementations, or when they spot a gap, accept the challenge to create the needed solution, which, ideally, can be used again by other communities in the future.
Unique, Persistent, Resolvable: Identifiers as the Foundation of FAIR
The FAIR principles describe characteristics intended to support access to and reuse of digital artifacts in the scientific research ecosystem. Persistent, globally unique identifiers, resolvable on the Web, and associated with a set of additional descriptive metadata, are foundational to FAIR data. Here we describe some basic principles and exemplars for their design, use and orchestration with other system elements to achieve FAIRness for digital research objects.
The Archive and Package (arcp) URI scheme
Abstract The arcp URI scheme is introduced for location-independent identifiers [...]
GROmaρs: a GROMACS-based toolset to analyse density maps derived from molecular dynamics simulations
Abstract We introduce a computational toolset, named GROmaρs, to obtain [...]
An enhanced-sampling MD-based protocol for molecular docking
This paper was published in BioRxiv in October 2018. Abstract [...]
Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server.
Abstract Recently we published PROtein binDIng enerGY (PRODIGY), a web-server [...]