Details of upcoming SAMPL in-person and virtual workshops, including agendas as applicable.
Additional SAMPL7 challenges are awaiting data finalization. We have also just launched the first SAMPL8 challenge on host-guest binding, focusing on CB8 binding to several drugs of abuse.
Challenges recently closed:
- Protein-ligand binding to the Pleckstrin homology domain interacting protein (PHIP) second bromodomain (PHIP2), in three phases.
- Host-guest binding on octa acid derivatives (Gibb lab); deadline was Nov. 1, 2019.
- Host-guest binding on modified cyclodextrin derivatives (Gilson lab); deadline was Nov. 1, 2019
- Host-guest binding on a glycouril clip-like host (Isaacs lab); deadline was Oct. 1, 2019
Details of these are available on the SAMPL7 GitHub repository.
Several additional challenges are planned as part of the SAMPL7 series. Most immediately, we are working with GSK on data collection for a partitioning challenge, and with NCATS on data collection for potential protein-ligand binding challenges (including on NanoLuc binding). Depending on data collection timescales these may comprise part of the SAMPL7 series, or may become part of SAMPL8. As the GSK logD dataset is currently in the data collection phase, we tentatively expect it will be part of SAMPL7 in 2020. See our roadmap pages for more details.
Note that, in contrast to SAMPL0-5, the SAMPL numbering system now corresponds to phases rather than individual challenges. So, rather than corresponding to a single challenge with a single deadline, SAMPL7 will involve multiple component challenges with multiple deadlines.