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Theoretical and Computational Chemistry

Working Paper

Chatbot-Assisted Quantum Chemistry for Explicitly Solvated Molecules

Rohit S. K. Gadde, Sreelaya Devaguptam, Fangning Ren, Rajat Mittal, Lechen Dong, Yao Wang, Fang Liu

Version 3 posted 26 December 2024

633

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Materials Chemistry

Working Paper

Co-harvesting Solar Energy with Ambient Heat and On-Demand Release of Thermal Energy Below 0 oC Through Visible-Light-Controlled Photochemical Phase Transitions of Azopyrazoles

Zhichun Shangguan, Wenjin Sun, Zhao-yang Zhang, Dong Fang, Si Wu, Chao Deng, Xianhui Huang, Yixin He, Ruzhu Wang, Tingxian Li, Tao Li

Version 1 posted 05 November 2021

327

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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

1,083

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1

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Organic Chemistry

Working Paper

Synthesis of -Tosyloxylated gem-Difluoroalkanes via Elusive [2,3]-Sulfonyloxy Migration

Honggen Wang, Fang-Hai Tu, Yi Wang, Zhan Li, Shuang Yang, Yin Li, Dong-Hang Tan, Qingjiang Li, Hui Gao

Version 3 posted 29 April 2022

1,000

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Biological and Medicinal Chemistry

Working Paper

Discovery, structure, and mechanism of a class II sesquiterpene cyclase

Xingming Pan, Wenyu Du, Xiaowei Zhang, Xiaoxu Lin, Fang-Ru Li, Qian Yang, Hang Wang, Jeffrey D. Rudolf, Bo Zhang, Liao-Bin Dong

Version 1 posted 24 August 2022

434

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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

1,272

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Organic Chemistry

Working Paper

Photoredox-Catalyzed Allylic C-H Fluorosulfonylation of Alkenes: Accessing Allyl Sulfonyl Fluorides

Zhi-Min Yan, Chun-Fang Zhang, Hua Li, Jia-Hua Yang, Lin Qi, Yu-Xue Ma, Yi-Chen Dong, Wei Li, Li-Jing Wang

Version 1 posted 02 August 2024

402

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Physical Chemistry

Working Paper

Arylazo-1,2,3-Triazoles: “Clicked” Photoswitches for Versatile Functionalization and Electronic Decoupling

Dong Fang, Zhao-Yang Zhang, Tao LI

Version 1 posted 20 May 2021

546

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1

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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

546

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1

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Analytical Chemistry

Working Paper

In Situ Visualizing the Recognition Between Proteins and Platinum-Damaged DNA in Single-Cells by Correlated Optical and Secondary Ion Mass Spectrometric Imaging

Yu Lin, Kui Wu, Feifei Jia, Ling Chen, Zhaoying Wang, Yanyan Zhang, Qun Luo, Suyan Liu, Luyu Qi, Nan Li, Xiaohong Fang, Pu Dong, Fei Gao, Yao Zhao, Fuyi Wang

Version 3 posted 20 April 2020

930

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Refine Search

12 results in Dong Fang in Authors: Dong Fang

Chatbot-Assisted Quantum Chemistry for Explicitly Solvated Molecules

Co-harvesting Solar Energy with Ambient Heat and On-Demand Release of Thermal Energy Below 0 oC Through Visible-Light-Controlled Photochemical Phase Transitions of Azopyrazoles

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

Synthesis of -Tosyloxylated gem-Difluoroalkanes via Elusive [2,3]-Sulfonyloxy Migration

Discovery, structure, and mechanism of a class II sesquiterpene cyclase

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

Photoredox-Catalyzed Allylic C-H Fluorosulfonylation of Alkenes: Accessing Allyl Sulfonyl Fluorides

Arylazo-1,2,3-Triazoles: “Clicked” Photoswitches for Versatile Functionalization and Electronic Decoupling

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

In Situ Visualizing the Recognition Between Proteins and Platinum-Damaged DNA in Single-Cells by Correlated Optical and Secondary Ion Mass Spectrometric Imaging

12 results in Authors: Dong Fang