Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation. - Amr H. Mahmoud; Matthew Masters; Soo Jung Lee; Markus A. Lill (J. Chem. Inf. Model., 2022)

Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation. - Soo Jung Lee; Amr H. Mahmoud; Markus A. Lill (CoRR, 2023)