Wei, Guo-Wei

TopologyNet: Topology based deep convolutional and multi-task neural networks for biomolecular property predictions

Cang, Z., & Wei, G.-W. (2017) · PLOS Computational Biology

Topological and Geometric Data AnalysisComputational Drug Discovery Methods

Cited by 330

Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening

Cang, Z., Mu, L., & Wei, G.-W. (2018) · PLOS Computational Biology

Computational Drug Discovery MethodsTopological and Geometric Data Analysis

Cited by 257

Persistent homology analysis of protein structure, flexibility, and folding

Xia, K., & Wei, G. (2014) · International Journal for Numerical Methods in Biomedical Engineering

Topological and Geometric Data AnalysisProtein Structure and Dynamics

Cited by 254

A topology-based network tree for the prediction of protein–protein binding affinity changes following mutation

Wang, M., Cang, Z., & Wei, G.-W. (2020) · Nature Machine Intelligence

Machine Learning in BioinformaticsTopological and Geometric Data Analysis

Cited by 202

Vaccine-escape and fast-growing mutations in the United Kingdom, the United States, Singapore, Spain, India, and other COVID-19-devastated countries

Wang, R., Chen, J., Gao, K., & Wei, G.-W. (2021) · Genomics

SARS-CoV-2 and COVID-19 Researchvaccines and immunoinformatics approaches

Cited by 191

Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges

Nguyen, D. D., Cang, Z., Wu, K., Wang, M., Cao, Y., & Wei, G.-W. (2019) · Journal of Computer-Aided Molecular Design

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 155

A topological approach for protein classification

Cang, Z., Mu, L., Wu, K., Opron, K., Xia, K., & Wei, G.-W. (2015) · Computational and Mathematical Biophysics

Topological and Geometric Data AnalysisMachine Learning in Bioinformatics

Cited by 93

Multiscale multiphysics and multidomain models—Flexibility and rigidity

Xia, K., Opron, K., & Wei, G.-W. (2013) · The Journal of Chemical Physics

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 88

TopoFormer: Multiscale Topology-enabled Structure-to-Sequence Transformer for Protein-Ligand Interaction Predictions

Wei, G.-W., Chen, D., & Liu, J. (2024) · Nature Machine Intelligence

Computational Drug Discovery MethodsTopological and Geometric Data Analysis

Cited by 57