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6 results in Authors: Junjie Peng

Theoretical and Computational Chemistry

A Smart Strategy for Photoresponsive Molecules: Utilizing Generative Pre-trained Transformer and TDDFT Calculations in Drug Delivery

Junjie Hu, Peng Wu, Qi Li, Shiyi Wang, Xianglu Xiao, Zhangming Niu, Binju Wang, Guang Yang

Version 1 posted 08 February 2024

318

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Biological and Medicinal Chemistry

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

Citations

Biological and Medicinal Chemistry

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

Citations

Theoretical and Computational Chemistry

Intelligent Photoresponsive Drug Delivery with Causal Language Models and Chemist Instruction Training

Junjie Hu, Peng Wu

Version 1 posted 07 May 2024

149

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Theoretical and Computational Chemistry

Communication efficiency enhanced federated learning derived from quantum reinforcement learning for retrosynthesis

Junjie Hu, Xiangyu Li, Dan-Dan Liu, Shiyi Wang, Yingying Fang, Peng Wu, Guang Yang

Version 1 posted 06 February 2024

220

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Materials Chemistry

HF-resistant perfluorinated porous polymer for separation of electronic specialty gases

Weiwei Zhang, Hui Yin, Jiawu Huang, Xiaoying Zhou, Cuiting Yang, Zilu Zhang, Junjie Peng, Jing Xiao

Version 1 posted 22 November 2024

0

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