E2EDNA: Simulation Protocol for DNA Aptamers with Ligands. - Michael Kilgour; Tao Liu; Brandon D. Walker; Pengyu Y. Ren; Lena Simine (J. Chem. Inf. Model., 2021)

Biological Sequence Design with GFlowNets. - Moksh Jain; Emmanuel Bengio; Alex Hernández-García; Jarrid Rector-Brooks; Bonaventure F. P. Dossou; Chanakya Ajit Ekbote; Jie Fu 001; Tianyu Zhang; Michael Kilgour; Dinghuai Zhang; Lena Simine; Payel Das; et al. (ICML, 2022)

Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning. - Siba Moussa; Michael Kilgour; Clara Jans; Alex Hernández-García; Miroslava Cuperlovic-Culf; Yoshua Bengio; Lena Simine (CoRR, 2022)

Inside the black box: A physical basis for the effectiveness of deep generative models of amorphous materials. - Michael Kilgour; Lena Simine (J. Comput. Phys., 2022)

E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands. - Michael Kilgour; Tao Liu 069; Ilya S. Dementyev; Lena Simine (J. Open Source Softw., 2022)

E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands. - Michael Kilgour; Tao Liu 069; Ilya S. Dementyev; Lena Simine (Zenodo, 2022)

DeltaGzip: Computing Biopolymer-Ligand Binding Affinity via Kolmogorov Complexity and Lossless Compression. - Tao Liu 069; Lena Simine (J. Chem. Inf. Model., 2024)