Dongguan City University | China
Dr. Liu Chao (刘超), is a distinguished researcher in computational drug discovery and molecular simulation. With a robust background in Chemical Engineering and a Ph.D. from Nanyang Technological University, Singapore, he has seamlessly integrated computational techniques with biomedical applications. Dr. Liu has held prominent academic positions and has made impactful contributions in CADD, drug screening, and molecular dynamics. Currently serving as an Associate Professor at Dongguan City University, he continues to advance innovation in pharmacological sciences.
Professional profile👤
Google Scholar
Strengths for the Awards✨
Dr. Liu Chao is a highly accomplished researcher in the field of Computational Drug Discovery and Molecular Dynamics Simulation, with extensive expertise in CADD (Computer-Aided Drug Design), drug screening, and bioinformatics-based target validation. His research output demonstrates significant depth and interdisciplinary integration, particularly in targeted drug screening for conditions like autism, depression, gastric cancer, and osteoarthritis, as well as innovative use of molecular dynamics, MM/PBSA, and patch-clamp validation techniques.
He has been affiliated with premier institutions including Dongguan City University and Southern University of Science and Technology, where he held positions from Associate Professor to Senior Research Scholar. His educational pedigree spans from a Ph.D. at Nanyang Technological University with a solid GPA (4.37/5.0) to dual bachelor degrees from Tianjin University. His proficiency in computational tools (Python, Gromacs, Autodock Vina) and languages (C/C++) is at the expert level.
🎓 Education
Dr. Liu Chao holds a Ph.D. in Chemical Engineering (Molecular Simulation) from Nanyang Technological University, Singapore (2008–2012), where he earned an impressive GPA of 4.37/5.0. He previously completed his Master’s in Chemical Engineering (Process Simulation) at Tianjin University (2006–2008) and earned dual bachelor’s degrees in Chemical Engineering and Technology and Computer Science and Technology from Tianjin University, finishing first in his class. His academic excellence laid a strong foundation for his future success.
👨🔬 Experience
Dr. Liu’s career spans academia and industry, including roles as Senior Research Scholar at Southern University of Science and Technology (SUSTech) (2021–2023) and R&D Scientist at Process Integration Limited, Beijing (2013–2015). He has also held postdoctoral positions at SUSTech and Wuhan Institute of Technology. Since 2023, he has been serving as Associate Professor at Dongguan City University, where he leads drug discovery research. His work involves advanced simulation techniques, including patch-clamp validations and molecular docking for diseases such as osteoarthritis and autism.
Dr. Liu’s research interests revolve around Computer-Aided Drug Design (CADD), Drug Development, Molecular Docking, ADMET Testing, and Molecular Dynamics Simulations. He has applied these tools to study drug interactions with proteins relevant to osteoarthritis, autism, depression, and gastric cancer. His interdisciplinary expertise bridges chemistry, biology, and computational modeling.
🏆 Awards
Dr. Liu has received numerous honors, including:
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2025 Candidate for Digital Expert in Guangdong Province
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2024 Qiming Initiative Finalist by MIIT of China
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2023 High-Level Talent in Dongguan City
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2022 Distinguished Expert – China Doctoral Association Think Tank
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2019 Overseas Young Postdoctoral Fellowship – Pearl River Talent Plan
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2011 Best Young Author Nominee – Molecular Physics
Additionally, he is a member of IEEE since 2009 and has received scholarships and talent awards throughout his academic career, highlighting his outstanding contributions to science and technology.
📚 Publications
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Water as a Direct Proton Source for Asymmetric Hydroarylation Catalyzed by a Rh(I)–Diene: Access to Nonproteinogenic β2/γ2/δ2-Amino Acid Derivatives
Authors: JP Chen, Y Li, C Liu, T Wang, LW Chung, MH Xu
Year: 2020
Cited by: 9
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Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42
Authors: T Ma, L Wang, A Chai, C Liu, W Cui, S Yuan, S Wing Ngor Au, L Sun, …
Year: 2023
Cited by: 5
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Cryo-EM structure and activator screening of human tryptophan hydroxylase 2
Authors: K Zhu, C Liu, Y Gao, J Lu, D Wang, H Zhang
Year: 2022
Cited by: 4
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Solubility correlation by model with partial molar volume
Authors: Q Yu, J Li, C Liu, H Yang
Year: 2023
Cited by: 3
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Direct Simulation Monte Carlo for Dense Hard Spheres
Authors: L Chao, SK Kwak, S Ansumali
Year: 2014
Cited by: 2
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Generalized equilibrium concentration of polyvacancy: case study for trivacancy in hard-sphere crystals
Authors: C Liu, PC Su, SK Kwak
Year: 2011
Cited by: 1
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Targeted drug screening for autism based on Cav1.2 calcium ion channel
Author: C Liu
Year: 2025
Cited by: Not yet cited
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Inhibitor screening for volume-sensitive LRRC8A chloride channel
Authors: C Liu, W Cui, K Zhu, S Yuan, L Sun, Y Liang, J Lu, D Li, Z Deng, L Duan, …
Year: 2024
Cited by: Not yet cited
🧩 Conclusion
With a strong academic foundation, interdisciplinary research excellence, and an impressive portfolio of publications and awards, Dr. Liu Chao stands as a prominent leader in computational drug discovery. His commitment to using advanced simulations to address pressing medical challenges—from autism to gastric cancer—illustrates both scientific rigor and societal impact. Dr. Liu’s dynamic contributions make him a compelling candidate for any prestigious scientific or innovation-based recognition.
