Structural and functional insights on folate receptor ? (FR?) by homology modeling, ligand docking and molecular dynamics
The in silico 3D structure of folate receptor ? is obtained by homology modeling. The expected network of 8 disulfide bridges of the receptor is successfully reproduced. The key structural determinants driving high affinity for folates analogs are suggested. The effect of some point mutation impairing folate binding is explained by this model.
bioinformatics protein docking folate-targeted cancer therapies