13 citations · 13 across the 4 of their papers we have counts for
4 papers
A review of topological data analysis and topological deep learning in molecular sciences
JunJie Wee, Jian Jiang
Topological Data Analysis (TDA) has emerged as a powerful framework for extracting robust, multiscale, and interpretable features from complex molecular data for artificial intelli…
Topological Machine Learning for Protein-Nucleic Acid Binding Affinity Changes Upon Mutation
Xiang Liu, Junjie Wee, Guo-Wei Wei
Understanding how protein mutations affect protein-nucleic acid binding is critical for unraveling disease mechanisms and advancing therapies. Current experimental approaches are l…
CAML: Commutative algebra machine learning -- a case study on protein-ligand binding affinity prediction
Hongsong Feng, Faisal Suwayyid, Mushal Zia +4
Recently, Suwayyid and Wei have introduced commutative algebra as an emerging paradigm for machine learning and data science. In this work, we integrate commutative algebra machine…
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…