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高毅勤 (Yi Qin Gao)

peking university

47H-index
495Paper Count
9.3KCitation Count
Published Papers 171
Publication Date
Analytic Nonadiabatic Derivative Couplings Using Noncollinear Spin-Flip TDDFT
err2026-06-11
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PREAI
errYu Jing; Wenxian Qin; Cheng Fan; Tai Wang; Zhichen Pu; Qiming Sun; Yi Qin Gao; Yunlong Xiao
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MolSculptor: An Adaptive Diffusion–Evolution Framework Enabling Generative Drug Design for Multitarget Affinity and Selectivity
err2026-05-13
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PREAI
errYanheng Li; Haojia Dong; Xiaohan Lin; Yize Hao; Yue Xue; Jun Zhang; Yundong Wu; Jinming Zhou; Yi Qin Gao
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Path-integral molecular dynamics of muonium in diamond using machine-learning force field
err2026-05-06
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PREAI
errYue Yuan; Cheng Fan; Li Deng; Ziwen Pan; Yi Qin Gao; Bangjiao Ye
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RAISE: A computational tool for evaluating sarbecovirus spillover potential
err2026-04-25
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errOAAI
errHe Huang; Lupeng Kong; Yanzhi Zhu; Yue Dai; Yutong Yang; Yuyang Wang; Zhiqiang Wu; Yi Qin Gao; Lili Ren
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Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry
err2026-04-23
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errOAAI
errRommie E. Amaro; Victor Batista; Jochen Blumberger; Yee Siew Choong; Clémence Corminboeuf; Zoe Cournia; Qiang Cui; Marco De Vivo; Francesco A. Evangelista; Yi Qin Gao; Debashree Ghosh; Xiao He; Olexandr Isayev; Syma Khalid; Johannes Kirchmair; John R. Kitchin; Haiyan Liu; Kevin J. Naidoo; Duc Nguyen; Ariane Nunes Alves; Giulia Palermo; Brett Savoie; Thereza A. Soares; Pratyush Tiwary; Guowei Wei; Xiao Zheng; Tong Zhu; Kenneth M. Merz Jr.; Laura Gagliardi
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Polymerization Chaperone for the Controlled; Homogeneous Synthesis of Proline-Based Homo- and Copolypeptides
err2026-03-15
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PREAI
errMingyuan Lu; Zhen Zhu; Shuo Wang; Letian Wang; Haoyu Yang; Zhengqi Yang; Lijiang Yang; Yi Qin Gao; Hua Lu
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Disentangling coevolutionary constraints for modeling protein conformational heterogeneity
err2026-02-26
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errOAAI
errShimian Li; Chengwei Zhang; Lupeng Kong; Yue Xue; Sirui Liu; Yi Qin Gao
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A rare case of peritoneal dialysis-associated peritonitis caused by Coxiella burnetii diagnosed by mNGS
err2026-01-02
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errOAAI
errZijuan Zhou; Xixi Zheng; Wei Yang; Ying Cui; Yingying Gao; Jinghua Xia; Yao Wang; Yi Gao; Minya Lu; Dong Zhang; Haiyun Wang; Limeng Chen
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Bidirectional GPT
err2025-11-07
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PREAI
errChuanliu Fan; Zicheng Ma; Wenjie Du; Nan Yu; Jun Zhang; Yi Qin Gao; Ziqiang Cao; Guohong Fu
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Cryo-electron tomography reconstructs polymer in liquid film for fab-compatible lithography
err2025-09-30
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errOAAI
errLiming Zheng; Yijie Xia; Xia Jia; Mingyi Gao; Nan Liu; Jiling Song; XiaoPeng Li; Xiaole Zhao; Xin Gao; Wen Zhou; Wenbing Kang; Lijiang Yang; Qianqian Wang; Yiqin Gao; Hong-Wei Wang; Hailin Peng
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Author Correction: Navigating condensate micropolarity to enhance small-molecule drug targeting
err2025-09-29
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PREAI
errJian Ouyang; Junlin Chen; Zhili Wu; Kaiqiang You; Taoyu Chen; Yi Qin Gao; Pilong Li; Xin Zhang; Tingting Li
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Catalytic Hydrogenation Dominated by Concerted Hydrogen Tunneling at Room Temperature
err2025-09-26
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errOAAI
errQingyuan Wu; Pengxin Liu; Xia-Guang Zhang; Cheng Fan; Ziwen Chen; Ruixuan Qin; Yi Qin Gao; Yi Zhao; Nanfeng Zheng
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Integrating diverse experimental information to assist protein complex structure prediction by GRASP
err2025-09-15
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PREAI
errYuhao Xie; Chengwei Zhang; Shimian Li; Xinyu Du; Yanjiao Lu; Min Wang; Yingtong Hu; Zhenyu Chen; Sirui Liu; Yi Qin Gao
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Navigating condensate micropolarity to enhance small-molecule drug targeting
err2025-09-09
err0
PREAI
errJian Ouyang; Junlin Chen; Zhili Wu; Kaiqiang You; Taoyu Chen; Yi Qin Gao; Pilong Li; Xin Zhang; Tingting Li
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