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5 results in Authors: Yi Qin Gao

Theoretical and Computational Chemistry

Deep Learning for Variational Multi-Scale Molecular Modeling

Jun Zhang, Yaokun Lei, Yi Isaac Yang, Yi Qin Gao

Version 4 posted 29 June 2020

2,063

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Theoretical and Computational Chemistry

DSDPFlex: An Improved Flexible-Receptor Docking Method with GPU Acceleration

Chengwei Dong, YuPeng Huang, Xiaohan Lin, Hong Zhang, Yi Qin Gao

Version 2 posted 08 December 2023

777

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1

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Organic Chemistry

N–N Atropisomer Synthesis via Electrolyte- and Base-Free Electrochemical Cobalt-Catalysed C–H Annulation

Jiating Cai, Linzai Li, Chuitian Wang, Shi Qin, Shengdong Wang, Hui Gao, Zhi Zhou, Yugang Huang, Wei Yi, Zhongyi Zeng

Version 1 posted 03 September 2024

398

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Theoretical and Computational Chemistry

Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning

Xiaohan Lin, Yijie Xia, Yupeng Huang, Shuo Liu, Jun Zhang, Yi Qin Gao

Version 2 posted 18 June 2024

802

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Theoretical and Computational Chemistry

MolSculptor: a diffusion-evolution framework for multi-site inhibitor design

Yanheng Li, Xiaohan Lin, Yize Hao, Jun Zhang, Yi Qin Gao

Version 1 posted 10 April 2025

329

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