Forman persistent Ricci curvature (FPRC)-based machine learning models for protein-ligand binding affinity prediction. - Junjie Wee; Kelin Xia (Briefings Bioinform., 2021)

Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein-Ligand Binding Affinity Prediction. - Junjie Wee; Kelin Xia (J. Chem. Inf. Model., 2021)

Persistent spectral simplicial complex-based machine learning for chromosomal structural analysis in cellular differentiation. - Weikang Gong; Junjie Wee; Min-Chun Wu; Xiaohan Sun; Chunhua Li 001; Kelin Xia (Briefings Bioinform., 2022)

Persistent spectral based ensemble learning (PerSpect-EL) for protein-protein binding affinity prediction. - Junjie Wee; Kelin Xia (Briefings Bioinform., 2022)

Curvature-enhanced Graph Convolutional Network for Biomolecular Interaction Prediction. - Cong Shen 002; Pingjian Ding; Junjie Wee; Jialin Bi; Jiawei Luo 001; Kelin Xia (CoRR, 2023)

Fingerprint-Enhanced Graph Attention Network (FinGAT) Model for Antibiotic Discovery. - Hou Yee Choo; Junjie Wee; Cong Shen 002; Kelin Xia (J. Chem. Inf. Model., 2023)

Multiscale Topological Indices for the Quantitative Prediction of SARS CoV-2 Binding Affinity Change upon Mutations. - Jialin Bi; Junjie Wee; Xiang Liu 021; Cunquan Qu; Guanghui Wang 002; Kelin Xia (J. Chem. Inf. Model., 2023)

Preventing future zoonosis: SARS-CoV-2 mutations enhance human-animal cross-transmission. - Junjie Wee; Jiahui Chen 006; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2024)

A cohomology-based Gromov-Hausdorff metric approach for quantifying molecular similarity. - Junjie Wee; Xue Gong; Wilderich Tuschmann; Kelin Xia (CoRR, 2024)

Evaluation of AlphaFold 3's Protein-Protein Complexes for Predicting Binding Free Energy Changes upon Mutation. - Junjie Wee; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2024)

Integration of persistent Laplacian and pre-trained transformer for protein solubility changes upon mutation. - Junjie Wee; Jiahui Chen 006; Kelin Xia; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2024)

CAML: Commutative Algebra Machine Learning─A Case Study on Protein-Ligand Binding Affinity Prediction. - Hongsong Feng; Faisal Suwayyid; Mushal Zia; Junjie Wee; Yuta Hozumi; Chun-Long Chen; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2025)

Topology-Enhanced Machine Learning Model (Top-ML) for Anticancer Peptide Prediction. - Joshua Zhi En Tan; Junjie Wee; Xue Gong; Kelin Xia (J. Chem. Inf. Model., 2025)