PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196403 Descriptor: 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, PH-interacting protein Authors: Grosjean, H, Aimon, A
Molecular docking using models of receptor (protein) and ligand (Testosterone) was carried out using Schrodinger Glide Maestro, USA software. GPCR 205 displayed highest docking score of -8.3Kcal/mol.
The table presents the Gibbs free binding energy (ΔG) values, estimated using the Molecular Mechanics/Poisson-Boltzmann Surface Area (MM/PBSA) method. The calculations were performed on a set of 8,000
