From: Preventing lipophilic aggregation in cosolvent molecular dynamics simulations with hydrophobic probes using Plumed Automatic Restraining Tool (PART)
Protein system
PDB codes of analyzed ligands
Factor-Xa
1FJS [24], 1EZQ [46], 1MQ5 [47], 1Z6E [48]
HIV protease
1G2K [40], 1DMP [49], 1B6K [50], 1D4L [51]
P38 MAP kinase
1OUY [41], 1W84 [52], 1A9U [53], 1BL7 [53], 1DI9 [54], 1WBW [52]
RNase A
1O0H [55], 1O0O [55], 1O0M [54], 1QHC [56], 6PVV* [43], 6PVX* [43]
