Hao Su

14PUBLICATIONS
28CO-AUTHORS
Biomolecular modelling and designChemical and thermal processes in energy and combustionIndustrial molecular engineering of nucleic acids and proteinsRadiation and matterMetal organic frameworks
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Publications (14)

|Nov 05, 2026
Reaction Mechanism and Chemoselectivity of an Enzymatic PAS Domain: A Combined MD and QM/MM Study.

|Aug 19, 2026
Mechanistic Insights Into the Formaldehyde Dehydrogenase-Catalyzed Reduction of Formate: A Quantum Chemical Study.

|Jul 16, 2025
Protein Engineering of an Inositol-1-phosphate Synthase Based on the Active-Site Redesign Facilitates the Biomanufacturing of myo-Inositol from Starch via In Vitro Synthetic Enzymatic Biosystem.

Lin Fan, Hao Su, Shangshang Sun

|May 09, 2025
Quantum Chemical Study on the Reaction Mechanism of 2,5-Furandicarboxylic Acid Decarboxylase.

Ziwei Liu, Wei Wang, Chenghua Zhang

|Feb 10, 2025
Development and Application of Fe3+, Al3+, Cr3+ Dummy Atom Models for Metal-Organic Frameworks.

Dusanka Golo, Mårten S G Ahlquist, Hao Su

|Jan 31, 2025
Computational Modeling of the Enzymatic Achmatowicz Rearrangement by Heme-Dependent Chloroperoxidase: Reaction Mechanism, Enantiopreference, Regioselectivity, and Substrate Specificity.

Fuqiang Chen, Chenghua Zhang, Shiqing Zhang

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Frequent Collaborators

9 joint publications

Xiang Sheng

3 joint publications

Mårten S G Ahlquist

2 joint publications

Baoyan Liu

2 joint publications

Shiqing Zhang