Guo-Wei Wei

Latest

Multiscale laplacian learning
AweGNN: Auto-parametrized weighted element-specific graph neural networks for molecules
Review of COVID-19 Antibody Therapies
Persistent spectral graph
Generative Network Complex for the Automated Generation of Drug-like Molecules
Repositioning of 8565 Existing Drugs for COVID-19
Math and AI-based Repositioning of Existing Drugs for COVID-19
Potentially highly potent drugs for 2019-nCoV
Machine intelligence design of 2019-nCoV drugs
MathDL: mathematical deep learning for D3R Grand Challenge 4
Boosting Tree-Assisted Multitask Deep Learning for Small Scientific Datasets
A review of mathematical representations of biomolecular data
Are 2D fingerprints still valuable for drug discovery?
Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning
AGL-Score: Algebraic Graph Learning Score for Protein–Ligand Binding Scoring, Ranking, Docking, and Screening
DG-GL: Differential geometry-based geometric learning of molecular datasets
Generative network complex (GNC) for drug discovery
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
Rigidity Strengthening: A Mechanism for Protein–Ligand Binding
Accurate, robust, and reliable calculations of Poisson–Boltzmann binding energies
Feature functional theory–binding predictor (FFT–BP) for the blind prediction of binding free energies
The impact of surface area, volume, curvature, and Lennard–Jones potential to solvation modeling
Generalized flexibility-rigidity index