Wenqiang Cui / 崔文强

Wenqiang Cui / 崔文强

Postdoctoral Researcher
University of Florida

I received my Ph.D. in 2023 from the University of Chinese Academy of Sciences and am currently conducting postdoctoral research at the University of Florida. My research focuses on computational drug discovery and molecular design, combining computational chemistry, computational biology, and artificial intelligence to accelerate protein engineering and small-molecule drug discovery.

My current research interests include:

  • generative AI for de novo protein design;
  • virtual screening and molecular design based on CADD and AIDD;
  • molecular mechanism studies of enzymes and GPCRs using molecular simulations.

🔥 News

  • 2025/12/26: Our research article Sacrificing Knight for Pawn-Queen Promotion: Sonosensitive Nano-Xanthiums Orchestrate NO to Retain H2O2 for Antibiofilm Therapy was published in Advanced Materials.
  • 2025/05/28: Elected as a member of Sigma Xi, The Scientific Research Honor Society.
  • 2025/03/26: Served as a reviewer for ACS journals and contributed to international academic publishing.
  • 2025/01/10: Our research article Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the SN2 Step was published in Journal of the American Chemical Society.
  • 2024/04/10: Joined the Chinese Chemical Society and continued participating in academic exchange.
  • 2024/03/03: Our review article Will the hype of automated drug discovery finally be realized? was published in Expert Opinion on Drug Discovery.
  • 2024/02/15: Our review article Computational drug development for membrane protein targets was published in Nature Biotechnology.

📝 Publications

JACS 2025
paper

Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the SN2 Step

Natalia Gelfand1, Vojtech Orel1, Wenqiang Cui1, Jiri Damborsky, Chenglong Li, Zbynek Prokop, Wen Jun Xie, Arieh Warshel

PubMed

  • A representative study on using generative AI to support enzyme and protein design with combined biochemical and computational validation.
EMBO J 2024
paper

Structure of tetrameric forms of the serotonin-gated 5-HT3A receptor ion channel

Bianca Introini1, Wenqiang Cui1, Xiaofeng Chu1, Yingyi Zhang, Ana Catarina Alves, Luise Eckhardt-Strelau, Sabrina Golusik, Menno Tol, Horst Vogel, Shuguang Yuan, Mikhail Kudryashev

PubMed

  • A structural study revealing tetrameric forms of the serotonin-gated 5-HT3A receptor ion channel and their implications for receptor assembly.
RSC Adv 2023
paper

Molecular Basis of Ligand Selectivity for Melatonin Receptors

Wenqiang Cui, Junlin Dong, Shiyu Wang, Horst Vogel, Rongfeng Zou, Shuguang Yuan

PubMed

  • A mechanistic study on ligand selectivity for melatonin receptors.

Full Publication List

2026

  • [41] Wenqiang Cui, et al. Decoding xxx catalytic features in enzymes through generative AI. Submitted.
  • [40] Wenqiang Cui, et al. De novo design stable and active xxx protein via generative AI. Submitted.
  • [39] Wenqiang Cui, et al. Deciphering the molecular basis of magnesium-enhanced xxx receptor activation. Submitted.
  • [38] Wenqiang Cui, et al. Synergistic effects of xxx ions with the N-terminus of xxx receptor. Submitted.

2025

2024

2023

2022

2021

2020

2019

2018

2017

📘 Patents

  • [8] Li Yanhua, Ding Wenya, Qin Yue, Wenqiang Cui, Yan Qingbo, Hou Liya, Liu Yanyan, Dong Chunliu. Anti-diarrhea active ingredients of plantain and their application. Application No.: CN201911114532.7. Grant No.: CN111170977B. Authorized on 2024.11.08.
  • [7] Bai Jingwen, Tang Yang, Yang Yu, Li Yanhua, Bai Xuedong, Wenqiang Cui, Xu Yaqin. Use of honokiol in inhibiting Streptococcus suis or its biofilm. Application No.: CN202010137016.2. Grant No.: CN111419829B. Authorized on 2023.08.18.
  • [6] Shuguang Yuan, Xianchong Chen, Mupeng Luo, Wenqiang Cui, Rongfeng Zou, Jincun Zhao, Jing Sun. Application of bacillamide A in the preparation of drugs for the prevention and treatment of coronavirus infection. Application No.: CN202010265260.7. Grant No.: CN111420024B. Authorized on 2023.10.03.
  • [5] Shuguang Yuan, Wenqiang Cui, Mupeng Luo, Rongfeng Zou, Xianchong Chen, Jincun Zhao, Jing Sun. Application of pyroglutamic acid in the preparation of drugs for the prevention and treatment of novel coronavirus infection. Application No.: CN202010266183.7. Grant No.: CN111467338B. Authorized on 2021.04.23.
  • [4] Shuguang Yuan, Wenqiang Cui, Mupeng Luo, Rongfeng Zou, Xianchong Chen, Jincun Zhao, Jing Sun. Application of sodium phosphonoformate in the preparation of drugs for the prevention and treatment of coronavirus infection. Application No.: CN202010265267.9. Grant No.: CN111467355B. Authorized on 2021.04.23.
  • [3] Yanhua Li, Wenqiang Cui, Yonghui Zhou, Qianwei Qu, Jinping Wang. Use of sorafenib in antibacterial applications and intervention against pathogenic bacterial biofilms. Application No.: 201811047450.0. Grant No.: CN108785306B. Authorized on 2021.02.19.
  • [2] Yanhua Li, Jinping Wang, Wenqiang Cui, Qianwei Qu, Xin Liu, Fei Yu, Yonghui Zhou, Xiaoxu Xing. Use of 1-hydroxyanthraquinone in the preparation of antibacterial agents, agents for interfering with pathogenic bacterial biofilms, and drugs for bovine mastitis. Application No.: ZL201110263589.0. Grant No.: CN108969510B. Authorized on 2021.02.19.
  • [1] Yanhua Li, Qianwei Qu, Wenqiang Cui, Jinping Wang, Yonghui Zhou, Ruixiang Che, Xiaoxu Xing. Use of isoliquiritigenin in antibacterial applications, biofilm intervention, and treatment of bovine mastitis. Application No.: CN201811047444.5. Grant No.: CN109200038B. Authorized on 2021.02.12.

🏅 Honors and Awards

  • Reviewer for Nature Communications, Journal of Agricultural and Food Chemistry, Frontiers in Pharmacology, Frontiers in Chemistry, and Frontiers in Microbiology, Computational and Structural Biotechnology Journal.
  • Reviewer Editor for Frontiers in Pharmacology (Experimental Pharmacology and Drug Discovery).
  • Guest Editor for Membranes.
  • Author of highly cited articles in computational drug discovery and molecular design.
  • Member of the Chinese Chemical Society.
  • Member of Sigma Xi, the U.S. honor society for scientific research.

📬 Contact

Email: wenqiang.cui “AT” ufl.edu