Supplementary Material for "Thioamide substitution to probe the hydroxyproline recognition of VHL ligand" Coordinates of (DFT) PBF (water) MN15-L/aug-cc-pVTZ(-F) optimized geometries in xyz for
Supplementary dataset in support of the manuscript "Influence of beta-Cyclodextrin Methylation on Host-Guest Complex Stability: A Theoretical Study of Intra- and Intermolecular Interactions as well as
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and the conformational sampling. Furthermore, the...
