John Zenghui Zhang

83PUBLICATIONS
61CO-AUTHORS
PharmacogenomicsBiomolecular modelling and designNeural networksComputational chemistryChemical and thermal processes in energy and combustion
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Publications (83)

|Jul 03, 2026
Predicting Nirmatrelvir Resistance in SARS-CoV-2 Mpro Mutants with an Integrated Computational Framework.

|Jun 29, 2026
FragScan: A Quantitative Fragment Scanning Strategy for Rational Drug Discovery.

|May 29, 2026
SAKE-PP: A Spatial-Attention Equivariant Network for Accurate Ranking of Protein-Protein Interaction Models.

|May 27, 2026
Recent Advances in Computer-Aided Drug Design and Drug Discovery.

|May 01, 2026
GMFCC-UMA: A Fragment-Based Machine Learning Framework for Scalable Ab Initio-Quality Protein Energies.

|Apr 09, 2026
Comparative binding mechanisms of SND1 with MTDH and small-molecule inhibitors: insights from molecular dynamics simulations and free energy calculations.

Xi Zhu, Jiarui Chang, Min Fang

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Frequent Collaborators

14 joint publications

Tong Zhu

9 joint publications

Zhaoxi Sun

7 joint publications

Xiao He

6 joint publications

Yalong Cong