Permuting input for more effective sampling of 3D conformer space. - Giorgio Carta; Valeria Onnis; Andrew J. S. Knox; Darren Fayne; David G. Lloyd (J. Comput. Aided Mol. Des., 2006)

Study of E/Z Isomerization in a Series of Novel Non-ligand Binding Pocket Androgen Receptor Antagonists. - Fernando Blanco; Billy Egan; Laura Caboni; José Elguero; John O'Brien; Thomas McCabe; Darren Fayne; Mary J. Meegan; David G. Lloyd (J. Chem. Inf. Model., 2012)

Structure-Activity Relationships in Non-Ligand Binding Pocket (Non-LBP) Diarylhydrazide Antiandrogens. - Laura Caboni; Billy Egan; Brendan Kelly; Fernando Blanco; Darren Fayne; Mary J. Meegan; David G. Lloyd (J. Chem. Inf. Model., 2013)

Molecular Topology Applied to the Discovery of 1-Benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole-5-one as a Non-Ligand-Binding-Pocket Antiandrogen. - Laura Caboni; María Gálvez-Llompart; Jorge Gálvez; Fernando Blanco; Jaime Rubio-Martinez; Darren Fayne; David G. Lloyd (J. Chem. Inf. Model., 2014)

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13. - Oleksandra Herasymenko; Madhushika Silva; Abd Al-Aziz A. Abu-Saleh; Ayaz Ahmad; Jesus Alvarado-Huayhuaz; Oscar Emilio Arrúa Arce; Roly J. Armstrong; Cheryl H. Arrowsmith; Kelly E. Bachta; Hartmut Beck; Dénes Berta; Mateusz K. Bieniek; et al. (J. Chem. Inf. Model., 2025)