Path Integral Stochastic Optimal Control for Sampling Transition Paths. - Lars Holdijk; Yuanqi Du; Ferry Hooft; Priyank Jaini; Bernd Ensing; Max Welling (CoRR, 2022)

Sequence dependence of transient Hoogsteen base pairing in DNA. - Alberto Pérez de Alba Ortíz; Jocelyne Vreede; Bernd Ensing (PLoS Comput. Biol., 2022)

Multi-objective optimization via equivariant deep hypervolume approximation. - Jim Boelrijk; Bernd Ensing; Patrick Forré (ICLR, 2023)

Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths. - Lars Holdijk; Yuanqi Du; Ferry Hooft; Priyank Jaini; Bernd Ensing; Max Welling (NeurIPS, 2023)

Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data. - Jim Boelrijk; Denice van Herwerden; Bernd Ensing; Patrick Forré; Saer Samanipour (J. Cheminformatics, 2023)