Kun Yao

5PUBLICATIONS
11CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistryPhotovoltaic power systems
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (5)

|Apr 23, 2026
DiffDock-Glide: A Hybrid Physics-Based and Data-Driven Approach to Molecular Docking.

|Sep 30, 2021
Efficient Exploration of Chemical Space with Docking and Deep Learning.

Ying Yang, Kun Yao, Matthew P Repasky

|May 03, 2018
The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics.

Kun Yao, John E Herr, David W Toth

|Jun 03, 2017
Intrinsic Bond Energies from a Bonds-in-Molecules Neural Network.

Kun Yao, John E Herr, Seth N Brown

|Feb 10, 2017
Detection of electron tunneling across plasmonic nanoparticle-film junctions using nitrile vibrations.

Hao Wang, Kun Yao, John A Parkhill

Pageof 1

Frequent Collaborators

2 joint publications

Steven V Jerome

1 joint publications

Zachary D Schultz

1 joint publications

Seth N Brown

1 joint publications

David W Toth