Taoyu Niu

7PUBLICATIONS
62CO-AUTHORS
Chemical thermodynamics and energeticsFermentationBioinformatic methods developmentBiomolecular modelling and designPharmaceutical delivery technologies
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Publications (7)

|May 05, 2026
Development and Test of Highly Accurate End Point Free Energy Methods. 4. Expanding Solvents Capability and logBB Prediction.

|Mar 23, 2026
K16F/E22F Mutation Promotes Oligomerization and Alters β-Sheet Topology of Aβ16-22 Peptides: Insights from Molecular Dynamics Simulations.

Viet Hoang Man, Xibing He, Taoyu Niu

|Feb 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum

|Dec 22, 2025
A Comparative Study of Deep Learning and Classical Modeling Approaches for Protein-Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases.

Yue Liu, Haocheng Tang, Taoyu Niu

|Oct 08, 2025
Optimization of Lennard-Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force Field.

Taoyu Niu, Junmei Wang, Zhen Huang

|Feb 14, 2025
Intranasal diamorphine population pharmacokinetics modeling and simulation in pediatric breakthrough pain.

Lianjin Cai, Jingchen Zhai, Beihong Ji

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Frequent Collaborators

6 joint publications

Junmei Wang

3 joint publications

Xibing He

2 joint publications

Luxuan Wang

2 joint publications

Fengyang Han