The position and size of the search box were set to encompass every residue involved in the catalytic site of each receptor. Molecular docking simulations were performed using the AutoDock Vina v1.1.2 package [32]. We set the exhaustiveness parameter to 20. Then, to validate the results and...
The samples were heated in an incubator from 25 to 40 °C with equilibration time of 10 min. Preparative Operations PPS-Based MacroRAFT Agents All experiments were performed in a 12-position Radley’s carousel parallel reactor, purging it with argon for 5 min prior to the reactions. THF was...