Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Matthew P Repasky

3PUBLICATIONS

11CO-AUTHORS

Deep learningAerospace structuresCheminformatics and quantitative structure-activity relationships

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (3)

Sort by Publication Date:

|Apr 06, 2023

Epik: p<i>K</i><sub>a</sub> and Protonation State Prediction through Machine Learning.

Ryne C Johnston, Kun Yao, Zachary Kaplan

|Mar 10, 2023

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery.

Yuqi Zhang, Marton Vass, Da Shi

|Sep 30, 2021

Efficient Exploration of Chemical Space with Docking and Deep Learning.

Ying Yang, Kun Yao, Matthew P Repasky

Pageof 1

Frequent Collaborators

3 joint publications

Steven V Jerome

1 joint publications

Ying Yang

1 joint publications

Kun Yao

1 joint publications

Robert Abel

1 joint publications

Brian K Shoichet

1 joint publications

Yuqi Zhang

1 joint publications

Da Shi

1 joint publications

Prajwal Nandekar

1 joint publications

Edward B Miller

1 joint publications

Ryne C Johnston

Frequent Collaborators

3 joint publications

Steven V Jerome

1 joint publications

Ying Yang

1 joint publications

Kun Yao

1 joint publications

Robert Abel

Top Related Videos

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions

Published on : Jan 26, 2024

A Protocol for Computer-Based Protein Structure and Function Prediction

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on : Nov 03, 2011

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on : Jun 20, 2025

See more related videos

Top Related Videos

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions

Published on : Jan 26, 2024

A Protocol for Computer-Based Protein Structure and Function Prediction

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on : Nov 03, 2011

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on : Jun 20, 2025

See more related videos