Yujun Tao

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 20

Top Topics

Particulate Matter

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

Molecules (Basel, Switzerland)

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Timothy J Giese, Şölen Ekesan, Erika McCarthy, Yujun Tao, Darrin M York
Surface-Accelerated String Method for Locating Minimum Free Energy Paths. Journal of chemical theory and computation (2024)
Timothy J Giese, Jinzhe Zeng, Lauren Lerew, Erika McCarthy, Yujun Tao, Şölen Ekesan, Darrin M York
Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields. The journal of physical chemistry. B (2024)
Timothy J Giese, Jinzhe Zeng, Lauren Lerew, Erika McCarthy, Yujun Tao, Şölen Ekesan, Darrin M York
Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields. The journal of physical chemistry. B (2024)
Timothy J Giese, Şölen Ekesan, Erika McCarthy, Yujun Tao, Darrin M York
Surface-Accelerated String Method for Locating Minimum Free Energy Paths. Journal of chemical theory and computation 20 (5) (2024)
Timothy J Giese, Jinzhe Zeng, Lauren Lerew, Erika McCarthy, Yujun Tao, Şölen Ekesan, Darrin M York
Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields. The journal of physical chemistry. B 128 (26) (2024)
Yujun Tao, Timothy J Giese, Darrin M York
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. Molecules (Basel, Switzerland) 29 (11) (2024)
Yujun Tao, Timothy J Giese, Darrin M York
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. Molecules (Basel, Switzerland) 29 (11) (2024)
Timothy J Giese, Şölen Ekesan, Erika McCarthy, Yujun Tao, Darrin M York
Surface-Accelerated String Method for Locating Minimum Free Energy Paths. Journal of chemical theory and computation 20 (5) (2024)
Yujun Tao, Timothy J Giese, Darrin M York
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. Molecules (Basel, Switzerland) 29 (11) (2024)
Timothy J Giese, Şölen Ekesan, Erika McCarthy, Yujun Tao, Darrin M York
Surface-Accelerated String Method for Locating Minimum Free Energy Paths. Journal of chemical theory and computation 20 (5) (2024)
Jinzhe Zeng, Yujun Tao, Timothy J Giese, Darrin M York
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. Journal of chemical theory and computation 19 (4) (2023)
Jinzhe Zeng, Yujun Tao, Timothy J Giese, Darrin M York
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states. The Journal of chemical physics 158 (12) (2023)
Jinzhe Zeng, Yujun Tao, Timothy J Giese, Darrin M York
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. Journal of chemical theory and computation 19 (4) (2023)
Jinzhe Zeng, Yujun Tao, Timothy J Giese, Darrin M York
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. Journal of chemical theory and computation 19 (4) (2023)
Jinzhe Zeng, Yujun Tao, Timothy J Giese, Darrin M York
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. Journal of chemical theory and computation 19 (4) (2023)
Jinzhe Zeng, Yujun Tao, Timothy J Giese, Darrin M York
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. Journal of chemical theory and computation (2023)
Yujun Tao
We Are All Stars-Collaboration Builds Constellations and Galaxies. ACS environmental Au 3 (5) (2023)
Tai-Sung Lee, Zhixiong Lin, Bryce K Allen, Charles Lin, Brian K Radak, Yujun Tao, Hsu-Chun Tsai, Woody Sherman, Darrin M York
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials. Journal of chemical theory and computation 16 (9) (2020)
Tai-Sung Lee, Bryce K Allen, Timothy J Giese, Zhenyu Guo, Pengfei Li, Charles Lin, T Dwight McGee, David A Pearlman, Brian K Radak, Yujun Tao, Hsu-Chun Tsai, Huafeng Xu, Woody Sherman, Darrin M York
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery. Journal of chemical information and modeling 60 (11) (2020)
Hsu-Chun Tsai, Yujun Tao, Tai-Sung Lee, Kenneth M Merz, Darrin M York
Validation of Free Energy Methods in AMBER. Journal of chemical information and modeling 60 (11) (2020)