Yujun Tao

11PUBLICATIONS
26CO-AUTHORS
Proteins and peptidesSoftware testing, verification and validationNonlinear optics and spectroscopyFormal methods for softwareStatistical mechanics in chemistry
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Publications (11)

|Dec 22, 2025
PEGASUS: Unlocking Polarity in Cell-Permeable Cyclic Peptides Using AI Models Built on Massively Parallel Biological Assays.

Cole Baker, Francis A Acquah, Lakshmi G Chivukula

|Jun 21, 2024
Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields.

Timothy J Giese, Jinzhe Zeng, Lauren Lerew

|Jun 19, 2024
Electronic and Nuclear Quantum Effects on Proton Transfer Reactions of Guanine-Thymine (G-T) Mispairs Using Combined Quantum Mechanical/Molecular Mechanical and Machine Learning Potentials.

Yujun Tao, Timothy J Giese, Darrin M York

|Jun 10, 2024
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials.

Yujun Tao, Timothy J Giese, Şölen Ekesan

|Feb 17, 2024
Surface-Accelerated String Method for Locating Minimum Free Energy Paths.

Timothy J Giese, Şölen Ekesan, Erika McCarthy

|Sep 25, 2023
We Are All Stars-Collaboration Builds Constellations and Galaxies.

Yujun Tao

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Frequent Collaborators

9 joint publications

Darrin M York

6 joint publications

Timothy J Giese

4 joint publications

Jinzhe Zeng

3 joint publications

Hsu-Chun Tsai