34 citations · 49 across the 14 of their papers we have counts for
5 papers · 1 filter
Rapid response to fast viral evolution using AlphaFold 3-assisted topological deep learning
JunJie Wee, Guo-Wei Wei
The fast evolution of SARS-CoV-2 and other infectious viruses poses a grand challenge to the rapid response in terms of viral tracking, diagnostics, and design and manufacture of m…
A cohomology-based Gromov-Hausdorff metric approach for quantifying molecular similarity
JunJie Wee, Xue Gong, Wilderich Tuschmann +1
We introduce, for the first time, a cohomology-based Gromov-Hausdorff ultrametric method to analyze 1-dimensional and higher-dimensional (co)homology groups, focusing on loops, voi…
Topology-enhanced machine learning model (Top-ML) for anticancer peptide prediction
Joshua Zhi En Tan, JunJie Wee, Xue Gong +1
Recently, therapeutic peptides have demonstrated great promise for cancer treatment. To explore powerful anticancer peptides, artificial intelligence (AI)-based approaches have bee…
Benchmarking AlphaFold3's protein-protein complex accuracy and machine learning prediction reliability for binding free energy changes upon mutation
JunJie Wee, Guo-Wei Wei
AlphaFold 3 (AF3), the latest version of protein structure prediction software, goes beyond its predecessors by predicting protein-protein complexes. It could revolutionize drug di…
Drug Resistance Predictions Based on a Directed Flag Transformer
Dong Chen, Gengzhuo Liu, Hongyan Du +6
The continuous evolution of the SARS-CoV-2 virus poses a significant challenge to global public health. Of particular concern is the potential resistance to the widely prescribed d…