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Yujun Tao

rutgers university system

10H-index
14Paper Count
838Citation Count
Published Papers 12
Publication Date
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PEGASUS: Unlocking Polarity in Cell-Permeable Cyclic Peptides Using AI Models Built on Massively Parallel Biological Assays
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2025-12-01
err0
PREAI
errBaker, Cole; Acquah, Francis A.; Chivukula, Lakshmi G.; Wu, Liping; Philippe-Venec, Laurence; Abedi, Mostafa; Tao, Yujun; Ramirez, Daniel; Mccoy, Matthew D.; Moore, Brandon; Asher, Jennifer O.
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Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-10
err6
PREAI
errTao, Yujun; Giese, Timothy J.; Ekesan, Solen; Zeng, Jinzhe; Aradi, Balint; Ben Hourahine; Aktulga, Hasan Metin; Gotz, Andreas W.; Merz Jr, Kenneth M.; York, Darrin M.
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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
errMOLECULES
IF4.6
err2024-06-06
err2
errOAAI
errTao, Yujun; Giese, Timothy J.; York, Darrin M.
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errSave
Surface-Accelerated String Method for Locating Minimum Free Energy Paths
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-17
err7
PREAI
errGiese, Timothy J.; Ekesan, Solen; McCarthy, Erika; Tao, Yujun; York, Darrin M.
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errSave
We Are All Stars-Collaboration Builds Constellations and Galaxies
errACS ENVIRONMENTAL AU
IF7.7
err2023-09-20
err0
errOAAI
errTao, Yujun
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errSave
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-22
err18
errOAAI
errZeng, Jinzhe; Tao, Yujun; Giese, Timothy J.; York, Darrin M.
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errSave
QDp: A Quantum Deep Potential Interaction Model for Drug Discovery
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-25
err24
PREAI
errZeng, Jinzhe; Tao, Yujun; Giese, Timothy J.; York, Darrin M.
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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-09-16
err229
errOAAI
errLee, Tai-Sung; Allen, Bryce K.; Giese, Timothy J.; Guo, Zhenyu; Li, Pengfei; Lin, Charles; McGee, T. Dwight, Jr.; Pearlman, David A.; Radak, Brian K.; Tao, Yujun; Tsai, Hsu-Chun; Xu, Huafeng; Sherman, Woody; York, Darrin M.
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Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-07-16
err49
errOAAI
errLee, Tai-Sung; Lin, Zhixiong; Allen, Bryce K.; Lin, Charles; Radak, Brian K.; Tao, Yujun; Tsai, Hsu-Chun; Sherman, Woody; York, Darrin M.
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Validation of Free Energy Methods in AMBER
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-06-18
err22
errOAAI
errTsai, Hsu-Chun; Tao, Yujun; Lee, Tai-Sung; Merz, Kenneth M., Jr.; York, Darrin M.
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Effective flocculation of target microalgae with self-flocculating microalgae induced by pH decrease
errBIORESOURCE TECHNOLOGY
IF9
err2014-09-01
err50
PREAI
errLiu, Jiexia; Tao, Yujun; Wu, Jinheng; Zhu, Yi; Gao, Baoyan; Tang, Yu; Li, Aifen; Zhang, Chengwu; Zhang, Yuanming
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Freshwater microalgae harvested via flocculation induced by pH decrease
errBIOTECHNOLOGY FOR BIOFUELS
IF6.1
err2013-07-09
err186
errOAAI
errLiu, Jiexia; Zhu, Yi; Tao, Yujun; Zhang, Yuanming; Li, Aifen; Li, Tao; Sang, Ming; Zhang, Chengwu
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
K
Kenneth M. Merz
H-index: 83 · Papers: 690
D
Darrin M. York
H-index: 62 · Papers: 328
Y
Yuanming Zhang
H-index: 60 · Papers: 285
W
Woody Sherman
H-index: 58 · Papers: 141
B
Bálint Aradi
H-index: 39 · Papers: 161
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