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6 results in Authors: Wenbo Yu

Theoretical and Computational Chemistry

An Integrated Covalent Drug Design Workflow using Site-Identification by Ligand Competitive Saturation

Wenbo Yu, David J. Weber, Alexander D. MacKerell

Version 1 posted 28 February 2023

464

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Materials Science

Machine Learning Guided Graphdiyne based Nanozyme Discovery

Yujie Jiang, Yixin Yu, Chaohui Zhang, Wenbo Feng, Shen Liu, Zhiling Zhu, Ning Sui

Version 1 posted 21 April 2022

302

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Theoretical and Computational Chemistry

PhotoCat: An Artificial Intelligence-Driven Synthesis Planning Platform for Photocatalysis

Jiangcheng Xu, An Su, Panyi Huang, Wenbo Yu, Kui Du, Zhidan Fan, Bin Sun, Zhicheng Zhong, Can Jin, Weike Su

Version 2 posted 12 September 2023

363

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Theoretical and Computational Chemistry

Modeling Ligand Binding Site Water Networks with Site-Identification by Ligand Competitive Saturation: Impact on Ligand Binding Orientations and Relative Binding Affinities

Anmol Kumar, Himanshu Goel, Wenbo Yu, Mingtian Zhao, Alexander D. MacKerell

Version 1 posted 29 March 2024

186

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Analytical Chemistry

Minimum Distance Between Two Epitopes in Sandwich Immunoassays for Small Molecules

Yuchen Bai, Jie Fei, Weilin Wu, Leina Dou, Minggang Liu, Shibei Shao, Wenbo Yu, Kai Wen, Jianzhong Shen, Zhanhui Wang

Version 1 posted 13 April 2022

508

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High Entropy Electrolytes for Practical Lithium Metal Batteries

Sang Cheol Kim, Jingyang Wang, Rong Xu, Pu Zhang, Yuelang Chen, Zhuojun Huang, Yufei Yang, Zhiao Yu, Solomon Oyakhire, Wenbo Zhang, Louisa Greenburg, Mun Sek Kim, David Boyle, Philaphon Sayavong, Yusheng Ye, Jian Qin, Zhenan Bao, Yi Cui

Version 2 posted 15 May 2023

4,670

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