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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

1,076

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1

Citations

Materials Science

Working Paper

High Performance of Simple Organic Phosphorescence Host-Guest Materials

Yunsheng Wang, Heqi Gao, Jie Yang, Manman Fang, Dan Ding, Ben Zhong Tang, Zhen Li

Version 1 posted 28 September 2020

705

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Chemical Engineering and Industrial Chemistry

Working Paper

Removal and Recovery of Phosphate and Fluoride from Water with Reusable Mesoporous Fe3O4@mSiO2@mLDH Composites as Sorbents

Feihu Li, Jie Jin, Huashun Ji, Meng Yang

Version 1 posted 23 September 2019

473

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Biological and Medicinal Chemistry

Working Paper

Rational Design and Synthesis of Novel Dual Protacs for Simultaneous Degradation of EGFR and PARP

Mengzhu Zheng, Junfeng Huo, Xiaoxia Gu, Canrong Wu, Qingzhe Zhang, Wang Wang, Yang Liu, Yu Liu, Xuechen Zhou, Lixia Chen, Yirong Zhou, Hua Li

Version 1 posted 18 February 2021

971

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Organic Chemistry

Working Paper

Divergent Synthesis of Complex ent-Kauranes, ent-Atisanes and ent-Trachylobanes via a Hybrid Oxidative Approach

Xiao Zhang, Emma King-Smith, Liao-Bin Dong, Li-Cheng Yang, Jeffrey D. Rudolf, Ben Shen, Hans Renata

Version 2 posted 23 March 2020

2,102

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Reinforcement Learning Configuration Interaction

Joshua Goings, Hang Hu, Chao Yang, Xiaosong Li

Version 3 posted 07 July 2021

1,189

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Materials Science

Working Paper

Machine Learning and High-Throughput Robust Design of P3HT-CNT Composite Thin Films for High Electrical Conductivity

Daniil Bash, Yongqiang Cai, Chellappan Vijila, Swee Liang Wong, Yang Xu, Pawan Kumar, Jin Da Tan, Anas Abutaha, Jayce Jian Wei Cheng, Yee Fun Lim, Isaac Parker Siyu Tian, Zekun Ren, Wai Kuan Wong, Flore Mekki-Berrada, Jatin Nitin Kumar, Saif Khan, Qianxiao Li, Tonio Buonassisi, Kedar Hippalgaonkar

Version 1 posted 23 November 2020

377

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Catalysis

Working Paper

Utilizing Carbonyl-Coordination of Native Amides for Pd– catalyzed C(sp3)–H Olefination

Hojoon Park, Yang Li, jin-quan yu

Version 1 posted 16 May 2019

747

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Theoretical and Computational Chemistry

Working Paper

Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

Jack Yang, Sandip De, Joshua E Campbell, Sean Li, Michele Ceriotti, Graeme Day

Version 2 posted 27 April 2018

1,125

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Biological and Medicinal Chemistry

Working Paper

Bioinspired Long-Wavelength Excitable Near-Infrared AIEdots for Endometriosis Targeting and Image-Guided Surgery

Huashan Zhao, Chunbin Li, Wen Zhu, Ming Yu, Binbin Huang, Xiaopeng Wang, Jingwei Li, Yali Yang, Li Xue, Jen-Shyang Ni, Xiaohua Lei, Pei-Gen Ren, Pengfei Zhang, Jianguo Wang, Jian V. Zhang

Version 1 posted 03 March 2021

350

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Refine Search

250 results in Yang Yang LI in Authors: Yang Yang LI

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

High Performance of Simple Organic Phosphorescence Host-Guest Materials

Removal and Recovery of Phosphate and Fluoride from Water with Reusable Mesoporous Fe3O4@mSiO2@mLDH Composites as Sorbents

Rational Design and Synthesis of Novel Dual Protacs for Simultaneous Degradation of EGFR and PARP

Divergent Synthesis of Complex ent-Kauranes, ent-Atisanes and ent-Trachylobanes via a Hybrid Oxidative Approach

Reinforcement Learning Configuration Interaction

Machine Learning and High-Throughput Robust Design of P3HT-CNT Composite Thin Films for High Electrical Conductivity

Utilizing Carbonyl-Coordination of Native Amides for Pd– catalyzed C(sp3)–H Olefination

Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

Bioinspired Long-Wavelength Excitable Near-Infrared AIEdots for Endometriosis Targeting and Image-Guided Surgery

250 results in Authors: Yang Yang LI