Probing Factor Xa Protein-Ligand Interactions: Accurate Free Energy Calculations and Experimental Validations of Two Series of High-Affinity Ligands.
Fernández-Bachiller MI, Hwang S, Schembri ME, Lindemann P, Guberman M, Herziger S, Specker E, Matter H, Will DW, Czech J, Wagner M, Bauer A, Schreuder H, Ritter K, Urmann M, Wehner V, Sun H, Nazaré M.
Fernández-Bachiller MI, et al.
J Med Chem. 2022 Oct 13;65(19):13013-13028. doi: 10.1021/acs.jmedchem.2c00865. Epub 2022 Sep 30.
J Med Chem. 2022.
PMID: 36178213