Exploring the Receptor-Based Virtual Screening Study of the Aromatic Substituents for the Hepatitis C Virus NS5B Polymerase by Docking and Scoring. - Po-Yuan Chen; Wei-Tse Hsu; Mien-De Jhuo; Tzu-Hurng Cheng (BIBE, 2009)

The MAPK Signal Pathway Research and New Drug Discovery. - Po-Yuan Chen; Mien-De Jhuo; Wei-Tse Hsu; Tzu-Ching Shih; Tzu-Hurng Cheng (BIBE, 2009)

Identifying signatures of proteolytic stability and monomeric propensity in O-glycosylated insulin using molecular simulation. - Wei-Tse Hsu; Dominique A. Ramirez; Tarek Sammakia; Zhongping Tan; Michael R. Shirts (J. Comput. Aided Mol. Des., 2022)

physical_validation: A Python package to assess the physical validity of molecular simulation results. - Pascal T. Merz; Wei-Tse Hsu; Matt W. Thompson; Simon Boothroyd; Chris C. Walker; Michael R. Shirts (J. Open Source Softw., 2022)

alchemlyb. - David L. Dotson; Ian M. Kenney; Oliver Beckstein; Shuai Liu; Travis Jensen; Bryce K. Allen; Dominik Wille; Victoria T. Lim; Hyungro Lee; Mohammad Soroush Barhaghi; Zhiyi Wu; Wei-Tse Hsu; et al. (Zenodo, 2024)

alchemlyb: the simple alchemistry library. - David L. Dotson; Ian M. Kenney; Oliver Beckstein; Shuai Liu; Travis Jensen; Bryce K. Allen; Dominik Wille; Victoria T. Lim; Hyungro Lee; Mohammad Soroush Barhaghi; Zhiyi Wu; Wei-Tse Hsu; et al. (Zenodo, 2024)

alchemlyb: the simple alchemistry library. - David L. Dotson; Ian M. Kenney; Oliver Beckstein; Shuai Liu; Travis Jensen; Bryce K. Allen; Dominik Wille; Victoria T. Lim; Hyungro Lee; Mohammad Soroush Barhaghi; Zhiyi Wu; Wei-Tse Hsu; et al. (Zenodo, 2024)

Can AI-predicted complexes teach machine learning to compute drug binding affinity? - Wei-Tse Hsu; Savva Grevtsev; Thomas Douglas; Aniket Magarkar; Philip C. Biggin (CoRR, 2025)