Generation and Selection of Novel Estrogen Receptor Ligands Using the De Novo Structure-Based Design Tool, SkelGen. - Stuart Firth-Clark; Henriëtte M. G. Willems; Anthony Williams; William Harris (J. Chem. Inf. Model., 2006)

De Novo Ligand Design to Partially Flexible Active Sites: Application of the ReFlex Algorithm to Carboxypeptidase A, Acetylcholinesterase, and the Estrogen Receptor. - Stuart Firth-Clark; Stewart B. Kirton; Henriëtte M. G. Willems; Anthony Williams (J. Chem. Inf. Model., 2008)

SynthFormer: Equivariant Pharmacophore-based Generation of Molecules for Ligand-Based Drug Design. - Zygimantas Jocys; Henriëtte M. G. Willems; Katayoun Farrahi (CoRR, 2024)