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)

BoostMD: Accelerating molecular sampling by leveraging ML force field features from previous time-steps. - Lars L. Schaaf; Ilyes Batatia; Christoph Brunken; Thomas D. Barrett; Jules Tilly (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)