SANCDB: an update on South African natural compounds and their readily available analogs. - Bakary N'tji Diallo; Michael Glenister; Thommas M. Musyoka; Kevin A. Lobb; Özlem Tastan Bishop (J. Cheminformatics, 2021)

Protein binding affinity prediction under multiple substitutions applying eGNNs on Residue and Atomic graphs combined with Language model information: eGRAL. - Arturo Fiorellini-Bernardis; Sebastien Boyer; Christoph Brunken; Bakary N'tji Diallo; Karim Beguir; Nicolás López Carranza; Oliver Bent (CoRR, 2024)

Universally applicable and tunable graph-based coarse-graining for Machine learning force fields. - Christoph Brunken; Sebastien Boyer; Mustafa Omar; Martin Maarand; Olivier Peltre; Solal Attias; Bakary N'tji Diallo; Anastasia Markina; Olaf Othersen; Oliver Bent (CoRR, 2025)