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Inorganic Chemistry

Working Paper

Silver-Catalyzed Decarboxylative Cross-coupling Radical Reaction: Direct Synthesis of Coenzyme Q Compounds

Wan-Yue Luo, Yan Zhao, Tian-Li Zhang, Jin Wang, Xiao Hu

Version 1 posted 15 May 2019

744

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Biological and Medicinal Chemistry

Working Paper

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery

Zhixiong Lin, Junjie Zou, Chunwang Peng, Shuai Liu, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang

Version 1 posted 16 October 2020

1,048

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1

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Biological and Medicinal Chemistry

Working Paper

Asparaginyl Endopeptidase-Mediated Peptide Ligation and Cyclization for Phage Display

Xiao-Cui Wan, Yan-Ni Zhang, Ying Chen, Zhi-Hui Cui, Hua Zhang, Wen-Jing Zhu, Ge-Min Fang

Version 1 posted 07 February 2024

361

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1

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Theoretical and Computational Chemistry

Working Paper

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan Mathiowetz, Benjamin Burke, Robert Kumpf, Brajesh Rai, Geoffrey Wood, Frank Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang

Version 3 posted 09 November 2023

1,189

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Theoretical and Computational Chemistry

Working Paper

Does Machine Learning Learn the Physics for Pose Ranking of Fragment-Sized Ligands? A Comparison between Machine Learning and Physics-based Methods

xiao wan, Bai Xue, Michael Bellucci, Zhixiong Lin, Mingjun Yang, Junjie Zou

Version 1 posted 24 May 2024

181

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Biological and Medicinal Chemistry

Working Paper

Sortase-Mediated Peptide Ligation and Cyclization for Phage Display

Yan-Ni Zhang, Xiao-Cui Wan, Yang Tang, Ying Chen, Hua Zhang, Zhi-Hui Cui, Feng-Hao Zheng, Zhaocai Zhou, Ge-Min Fang

Version 1 posted 06 February 2024

360

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Catalysis

Working Paper

The role of Manganese in CoMnOx Catalysts for Selective Fischer-Tropsch Synthesis

HAO CHEN, Zan Lian, Xiao Zhao, Jiawei Wan, Priscilla F. Pieters, Judit Oliver Meseguer, Ji Yang, Elzbieta Pach, Sophie Carenco, Laureline Treps, Nikos Liakakos, Yu Shan, Maria Virginia Altoe, Ed Wong, Zengqing Zhuo, Feipeng Yang, Ji Su, Jinghua Guo, Monika Blum, Lapidus Saul H, Hunt Adrian, Waluyo Iradwikanari, Ogasawara Hirohito, Haimei Zheng, Peidong Yang, Alexis T. BELL, Nuria López, Miquel Salmeron

Version 1 posted 07 November 2023

375

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Biological and Medicinal Chemistry

Review

A Novel Atom Pair Attention Methodology for Molecular Representation Learning

Haotong Sun, Yinghui Jiang, Minhao Wang, Xianglu Xiao, Xinchen Wan, Miru Tang, Xurui Jin, Zhangming Niu, Hongming Chen

Version 1 posted 23 December 2022

281

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Analytical Chemistry

Working Paper

Ligation-Dependent Cas14a1-Activated Biosensor for One-pot Pathogenic Diagnostic

Xiao Tan, Xiufen Yang, Yuefeng Qiao, Yangdao Wei, Wenkai Shang, Huiying Cai, Xidan Luo, Hongwei Hou, Fengge Song, Yi Wan, Jinghong Li

Version 1 posted 20 December 2022

136

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Biological and Medicinal Chemistry

Working Paper

Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies

Junjie Zou, Zhipeng Li, Shuai Liu, Chunwang Peng, Dong Fang, Xiao Wan, Zhixiong Lin, Tai-Sung Lee, Daniel Raleigh, Mingjun Yang, Carlos Simmerling

Version 1 posted 04 March 2021

530

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1

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Refine Search

10 results in Xiao Wan in Authors: Xiao Wan

Silver-Catalyzed Decarboxylative Cross-coupling Radical Reaction: Direct Synthesis of Coenzyme Q Compounds

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery

Asparaginyl Endopeptidase-Mediated Peptide Ligation and Cyclization for Phage Display

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Does Machine Learning Learn the Physics for Pose Ranking of Fragment-Sized Ligands? A Comparison between Machine Learning and Physics-based Methods

Sortase-Mediated Peptide Ligation and Cyclization for Phage Display

The role of Manganese in CoMnOx Catalysts for Selective Fischer-Tropsch Synthesis

A Novel Atom Pair Attention Methodology for Molecular Representation Learning

Ligation-Dependent Cas14a1-Activated Biosensor for One-pot Pathogenic Diagnostic

Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies

10 results in Authors: Xiao Wan