Discovery of kaempferol derivatives as novel PDE4 inhibitors for treatment of idiopathic pulmonary fibrosisEUROPEAN JOURNAL OF MEDICINAL CHEMISTRYIF5.92026-01-210PRE
ALCHEMD: Bridging Accessibility and Accuracy in Automated Relative Binding Free Energy WorkflowsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52025-12-010PRE
Free energy perturbation (FEP)-guided scaffold hoppingACTA PHARMACEUTICA SINICA BIF14.62022-03-0111OAAI