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Gao, Kaifu
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1

Structural insights into the elevator-type transport mechan..:

Zhang, Yao ; Jiang, Yuhan ; Gao, Kaifu...
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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2

Machine Learning Analysis of Cocaine Addiction Informed by ..:

Feng, Hongsong ; Gao, Kaifu ; Chen, Dong...
Journal of Chemical Theory and Computation.  18 (2022)  4 - p. 2703-2719 , 2022
Link: https://doi.org/10.1021/..
 
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3

Methodology-Centered Review of Molecular Modeling, Simulati..:

Gao, Kaifu ; Wang, Rui ; Chen, Jiahui...
Chemical Reviews.  122 (2022)  13 - p. 11287-11368 , 2022
Link: https://doi.org/10.1021/..
 
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4

Algebraic graph-assisted bidirectional transformers for mol..:

Chen, Dong ; Gao, Kaifu ; Nguyen, Duc Duy...
Nature Communications.  12 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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5

Vaccine-escape and fast-growing mutations in the United Kin..:

Wang, Rui ; Chen, Jiahui ; Gao, Kaifu.
Genomics.  113 (2021)  4 - p. 2158-2170 , 2021
Link: https://doi.org/10.1016/..
 
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6

Analysis of SARS-CoV-2 mutations in the United States sugge..:

Wang, Rui ; Chen, Jiahui ; Gao, Kaifu...
Communications Biology.  4 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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7

Author Correction: Analysis of SARS-CoV-2 mutations in the ..:

Wang, Rui ; Chen, Jiahui ; Gao, Kaifu...
Communications Biology.  4 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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8

Proteome-Informed Machine Learning Studies of Cocaine Addic..:

Gao, Kaifu ; Chen, Dong ; Robison, Alfred J..
The Journal of Physical Chemistry Letters.  12 (2021)  45 - p. 11122-11134 , 2021
Link: https://doi.org/10.1021/..
 
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9

Revealing the Threat of Emerging SARS-CoV-2 Mutations to An..:

Chen, Jiahui ; Gao, Kaifu ; Wang, Rui.
Journal of Molecular Biology.  433 (2021)  18 - p. 167155 , 2021
Link: https://doi.org/10.1016/..
 
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10

Perspectives on SARS-CoV-2 Main Protease Inhibitors:

Gao, Kaifu ; Wang, Rui ; Chen, Jiahui...
Journal of Medicinal Chemistry.  64 (2021)  23 - p. 16922-16955 , 2021
Link: https://doi.org/10.1021/..
 
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11

Prediction and mitigation of mutation threats to COVID-19 v..:

Chen, Jiahui ; Gao, Kaifu ; Wang, Rui.
Chemical Science.  12 (2021)  20 - p. 6929-6948 , 2021
Link: https://doi.org/10.1039/..
 
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12

Generative Network Complex for the Automated Generation of ..:

Gao, Kaifu ; Nguyen, Duc Duy ; Tu, Meihua.
Journal of Chemical Information and Modeling.  60 (2020)  12 - p. 5682-5698 , 2020
Link: https://doi.org/10.1021/..
 
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13

Boosting Tree-Assisted Multitask Deep Learning for Small Sc..:

Jiang, Jian ; Wang, Rui ; Wang, Menglun...
Journal of Chemical Information and Modeling.  60 (2020)  3 - p. 1235-1244 , 2020
Link: https://doi.org/10.1021/..
 
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14

Unveiling the molecular mechanism of SARS-CoV-2 main protea..:

Nguyen, Duc Duy ; Gao, Kaifu ; Chen, Jiahui..
Chemical Science.  11 (2020)  44 - p. 12036-12046 , 2020
Link: https://doi.org/10.1039/..
 
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15

Repositioning of 8565 Existing Drugs for COVID-19:

Gao, Kaifu ; Nguyen, Duc Duy ; Chen, Jiahui..
The Journal of Physical Chemistry Letters.  11 (2020)  13 - p. 5373-5382 , 2020
Link: https://doi.org/10.1021/..
 
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