Predicting drug–Protein interaction with deep learning framework for molecular graphs and sequences: Potential candidates against SAR-CoV-2

Weian Du; Liang Zhao; Rong Wu; Boning Huang; Si Liu; Yufeng Liu; Huaiqiu Huang; Ge Shi

doi:10.1371/journal.pone.0299696

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Open Access

Peer-reviewed

Research Article

Predicting drug–Protein interaction with deep learning framework for molecular graphs and sequences: Potential candidates against SAR-CoV-2

Weian Du ,

Contributed equally to this work with: Weian Du, Liang Zhao

Roles Conceptualization, Methodology, Writing – original draft, Writing – review & editing

Affiliation Department of Dermatology, Third Affiliated Hospital of Sun Yat-sen University, Guangzhou, China
⨯
Liang Zhao ,

Contributed equally to this work with: Weian Du, Liang Zhao

Roles Conceptualization, Data curation, Formal analysis, Writing – original draft, Writing – review & editing

Affiliation Shenzhen Health Development Research and Data Management Center, Shenzhen, China
⨯
Rong Wu,

Roles Data curation

Affiliation Department of Dermatology, Third Affiliated Hospital of Sun Yat-sen University, Guangzhou, China
⨯
Boning Huang,

Roles Writing – review & editing

Affiliation School of Finance, Shanghai University of Finance and Economics, Shanghai, China
⨯
Si Liu,

Roles Data curation, Validation

Affiliation Department of Cosmetic and Plastic Surgery, The Sixth Affiliated Hospital, Sun Yat-sen University, Guangzhou, China
⨯
Yufeng Liu,

Roles Validation

Affiliation Department of Cosmetic and Plastic Surgery, The Sixth Affiliated Hospital, Sun Yat-sen University, Guangzhou, China
⨯
Huaiqiu Huang ,

Roles Conceptualization, Software, Writing – review & editing

* E-mail: hhuaiq@mail.sysu.edu.cn (HH); shig9@mail.sysu.edu.cn (GS)

Affiliation Department of Dermatology, Third Affiliated Hospital of Sun Yat-sen University, Guangzhou, China
⨯
Ge Shi

Roles Conceptualization, Supervision, Writing – original draft, Writing – review & editing

* E-mail: hhuaiq@mail.sysu.edu.cn (HH); shig9@mail.sysu.edu.cn (GS)

Affiliation Department of Cosmetic and Plastic Surgery, The Sixth Affiliated Hospital, Sun Yat-sen University, Guangzhou, China

https://orcid.org/0000-0001-8063-8749

⨯

Predicting drug–Protein interaction with deep learning framework for molecular graphs and sequences: Potential candidates against SAR-CoV-2

Weian Du,
Liang Zhao,
Rong Wu,
Boning Huang,
Si Liu,
Yufeng Liu,
Huaiqiu Huang,
Ge Shi

Published: May 10, 2024
https://doi.org/10.1371/journal.pone.0299696

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