Haohao Fu

47PUBLICATIONS
52CO-AUTHORS
Statistical mechanics in chemistryFormal methods for softwareBiological adaptationStructure and dynamics of materialsData structures and algorithms
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Publications (47)

|Jul 15, 2026
A Tutorial on Dimensionality Reduction and Clustering for Molecular Dynamics Trajectories: From Linear Algorithms to Deep Learning.

|Jul 02, 2026
BFEE-Docking: A User-Friendly and Customizable End-to-End Tool from High-Throughput Virtual Screening to Binding Free-Energy Calculations.

|Jun 12, 2026
Convergence is not correctness: context-dependent performance of enhanced-sampling methods across biological complexity.

|Jun 10, 2026
Aromatic ring flips reveal reshaping of protein dynamics in crystals and complexes.

|Mar 06, 2026
Unveiling hidden intermediate states in protein folding with AI-based conditional transition clustering.

Xuyang Liu, Wensheng Cai, Haohao Fu

|Jan 27, 2026
Fine-Tuning Side Chain Substitutions: Impacts on the Lipophilicity-Solubility-Permeability Interplay in Macrocyclic Peptides.

Yangping Deng, Hengwei Bian, Hongbo Li

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Frequent Collaborators

38 joint publications

Wensheng Cai

35 joint publications

Xueguang Shao

22 joint publications

Christophe Chipot

8 joint publications

Xuyang Liu