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Molecules (Basel, Switzerland)
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June 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
Journal of Chemical Theory and Computation
|
January 25, 2023
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery
Jinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
The Journal of Chemical Physics
|
April 1, 2023
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states
Jinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Journal of Chemical Theory and Computation
|
February 17, 2024
Surface-Accelerated String Method for Locating Minimum Free Energy Paths
Timothy J Giese, Şölen Ekesan, Erika McCarthy, et al.
Journal of Chemical Information and Modeling
|
June 20, 2020
Validation of Free Energy Methods in AMBER
Hsu-Chun Tsai, Yujun Tao, Tai-Sung Lee, et al.
Computational and Structural Biotechnology Journal
|
September 11, 2024
Generation and characterization of two acid-resistant macrocin <i>O</i>-methyltransferase variants with a higher enzyme activity at 30 °C from <i>Streptomyces fradiae</i>
Chaoyue Yan, Yujun Tao, Jingyan Fan, et al.
Biotechnology for Biofuels
|
July 10, 2013
Freshwater microalgae harvested via flocculation induced by pH decrease
Jiexia Liu, Yi Zhu, Yujun Tao, et al.
The Journal of Physical Chemistry. B
|
June 21, 2024
Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields
Timothy J Giese, Jinzhe Zeng, Lauren Lerew, et al.
Bioresource Technology
|
July 8, 2014
Effective flocculation of target microalgae with self-flocculating microalgae induced by pH decrease
Jiexia Liu, Yujun Tao, Jinheng Wu, et al.
Journal of Chemical Theory and Computation
|
July 17, 2020
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials
Tai-Sung Lee, Zhixiong Lin, Bryce K Allen, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Molecules (Basel, Switzerland)
|
June 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
Journal of Chemical Theory and Computation
|
January 25, 2023
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery
Jinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
The Journal of Chemical Physics
|
April 1, 2023
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states
Jinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Journal of Chemical Theory and Computation
|
February 17, 2024
Surface-Accelerated String Method for Locating Minimum Free Energy Paths
Timothy J Giese, Şölen Ekesan, Erika McCarthy, et al.
Journal of Chemical Information and Modeling
|
June 20, 2020
Validation of Free Energy Methods in AMBER
Hsu-Chun Tsai, Yujun Tao, Tai-Sung Lee, et al.
Computational and Structural Biotechnology Journal
|
September 11, 2024
Generation and characterization of two acid-resistant macrocin <i>O</i>-methyltransferase variants with a higher enzyme activity at 30 °C from <i>Streptomyces fradiae</i>
Chaoyue Yan, Yujun Tao, Jingyan Fan, et al.
Biotechnology for Biofuels
|
July 10, 2013
Freshwater microalgae harvested via flocculation induced by pH decrease
Jiexia Liu, Yi Zhu, Yujun Tao, et al.
The Journal of Physical Chemistry. B
|
June 21, 2024
Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields
Timothy J Giese, Jinzhe Zeng, Lauren Lerew, et al.
Bioresource Technology
|
July 8, 2014
Effective flocculation of target microalgae with self-flocculating microalgae induced by pH decrease
Jiexia Liu, Yujun Tao, Jinheng Wu, et al.
Journal of Chemical Theory and Computation
|
July 17, 2020
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials
Tai-Sung Lee, Zhixiong Lin, Bryce K Allen, et al.
Page
of 2