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Physical Chemistry

Working Paper

Developing Differentiable Long-Range Force Field for Proteins with E(3) Neural Network Predicted Asymptotic Parameters

Zheng Cheng, Hangrui Bi, Siyuan Liu, Junmin Chen, Alston J. Misquitta, Kuang Yu

Version 2 posted 29 May 2024

594

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Chemical Engineering and Industrial Chemistry

Working Paper

Non-van-der-Waals oriented two-dimensional UiO-66 films by rap-id aqueous synthesis at room temperature

Heng-Yu Chi, Kangning Zhao, Kuang-Jung Hsu, Qi Liu, Shuqing Song, Arthur Allaire, Kumar Varoon Agrawal

Version 1 posted 09 September 2024

282

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Catalysis

Working Paper

Direct coordination of phenol reductants to copper enables the Cu(II) reduction in Lytic polysaccharide monooxygenases

Langxing Liao, Jian Kuang, Wei Peng, Peng Wu, Xianhang Sang, Heng Yin, Changlin Tian, Lu Yu, Binju Wang

Version 1 posted 23 September 2024

278

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Biological and Medicinal Chemistry

Working Paper

Development of an orally bioavailable covalent STING inhibitor

GUANG-HAO NIU, Wan-Chi Hsiao, Po-Hsun Lee, Li-Guo Zheng, Yu-Shao Yang, Wei-Cheng Huang, Chih-Chien Hsieh, Tai-Yu Chiu, Jing-Ya Wang, Ching-Ping Chen, Chen-Lung Huang, May-Su You, Yi-Ping Kuo, Chien-Ming Wang, Zhi-Hong Wen, Guann-Yi Yu, Chiung-Tong Chen, Ya-Hui Chi, Chun-Wei Tung, Shu-Ching Hsu, Teng-Kuang Yeh, Ping-Jyun Sung, Mingzi M. Zhang, Lun Kelvin Tsou

Version 1 posted 03 October 2024

345

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Analytical Chemistry

Working Paper

Chemiluminescence signature arrays coupling with machine learning for Alzheimer’s disease serum diagnosis

Biyue Zhu, Yanbo Li, Shi Kuang, Astra Yu, Jing Zhang, Jun Yang, Johnson Wang, Shiqian Shen, Xuan Zhai, Jiajun Xie, Chongzhao Ran

Version 1 posted 18 September 2024

158

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Theoretical and Computational Chemistry

Working Paper

Screening and Design of Aqueous Zinc Battery Electrolytes Based on the Multimodal Optimization of Molecular Simulation

Wei Feng, Luyan Zhang, Yaobo Cheng, Jin Wu, Chunguang Wei, Junwei Zhang, Kuang Yu

Version 1 posted 14 January 2025

230

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Physical Chemistry

Working Paper

DMFF: An Open-Source Automatic Differentiable Platform for Molecular Force Field Development and Molecular Dynamics Simulation

Xinyan Wang, Jichen Li, Lan Yang, Feiyang Chen, Yingze Wang, Junhan Chang, Junmin Chen, Linfeng Zhang, Kuang Yu

Version 1 posted 24 November 2022

1,625

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2

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Theoretical and Computational Chemistry

Working Paper

A Transferrable Range-Separated Force Field for Water: Combining the Power of Both Physically-Motivated Models and Machine Learning Techniques

Lan Yang, Jichen Li, Feiyang Chen, Kuang Yu

Version 2 posted 22 September 2022

498

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Biological and Medicinal Chemistry

Working Paper

A two-stage MS feature dereplication strategy for natural products discovery

Ran Zhang, Beilun Wang, Chang Wang, Kaihong Huang, Zhaoguo Li, Jinling Yang, Jingyu Kuang, Lihan Ren, Mengjun Wu, Kai Zhang, Han Xie, Yu Liu, Min Wu, Yihan Wu, Fei Xu

Version 1 posted 06 June 2024

249

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Catalysis

Working Paper

Mechanism of Particle-Mediated Inhibition of Demetalation for Single-Atom Catalytic Sites in Acidic Electrochemical Environments

Yu-Cheng Wang, Xiao-bing Gao, Wei Cheng Xu, Huan Huang, Kuang-min Zhao, Hong Ye, Zhiyou Zhou, Nan-Feng Zheng, Shigang Sun

Version 3 posted 25 April 2023

694

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Refine Search

11 results in Yu Kuang in Authors: Yu Kuang

Developing Differentiable Long-Range Force Field for Proteins with E(3) Neural Network Predicted Asymptotic Parameters

Non-van-der-Waals oriented two-dimensional UiO-66 films by rap-id aqueous synthesis at room temperature

Direct coordination of phenol reductants to copper enables the Cu(II) reduction in Lytic polysaccharide monooxygenases

Development of an orally bioavailable covalent STING inhibitor

Chemiluminescence signature arrays coupling with machine learning for Alzheimer’s disease serum diagnosis

Screening and Design of Aqueous Zinc Battery Electrolytes Based on the Multimodal Optimization of Molecular Simulation

DMFF: An Open-Source Automatic Differentiable Platform for Molecular Force Field Development and Molecular Dynamics Simulation

A Transferrable Range-Separated Force Field for Water: Combining the Power of Both Physically-Motivated Models and Machine Learning Techniques

A two-stage MS feature dereplication strategy for natural products discovery

Mechanism of Particle-Mediated Inhibition of Demetalation for Single-Atom Catalytic Sites in Acidic Electrochemical Environments

11 results in Authors: Yu Kuang