This useful manuscript describes cryo-EM structures of archaeal proteasomes that reveal insights into how occupancy of binding pockets on the 20S protease regulates proteasome gating. The evidence ...

The computation includes diverse terms that promote ligand binding including adequate size, isolation from the solvent, and penalizes increasing hydrophilicity. A pharmacophore was developed for any ...

However, using the chromatographic retention time as an indicator for hydrophobicity, the authors concluded that particularly the most polar contaminants in the WWTP effluents remained in the water ...