100 citations · 133 across the 3 of their papers we have counts for
3 papers
NeuralPLexer3: Accurate Biomolecular Complex Structure Prediction with Flow Models
Zhuoran Qiao, Feizhi Ding, Thomas Dresselhaus +10
Structure determination is essential to a mechanistic understanding of diseases and the development of novel therapeutics. Machine-learning-based structure prediction methods have…
State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
Zhuoran Qiao, Weili Nie, Arash Vahdat +2
The binding complexes formed by proteins and small molecule ligands are ubiquitous and critical to life. Despite recent advancements in protein structure prediction, existing algor…
Informing Geometric Deep Learning with Electronic Interactions to Accelerate Quantum Chemistry
Zhuoran Qiao, Anders S. Christensen, Matthew Welborn +3
Predicting electronic energies, densities, and related chemical properties can facilitate the discovery of novel catalysts, medicines, and battery materials. By developing a physic…