Yue Yang

According to our database, Yue Yang authored at least 6 papers between 2019 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

Free Energy and Flexibility Analysis of Autoinhibited Human BRAF.

Jeremy O. B. Tempkin, Fikret Aydin, Sebnem Essiz, Yue Yang, Timothy S. Carpenter, David E. Durrant, Deborah K. Morrison, Helgi I. Ingólfsson, Frederick H. Streitz, Dwight V. Nissely, Felice C. Lightstone, Xiaohua Zhang

J. Chem. Inf. Model., 2026

2025

SurGBSA: Learning Representations From Molecular Dynamics Simulations.

Derek Jones, Yue Yang, Felice C. Lightstone, Niema Moshiri, Jonathan E. Allen, Tajana Simunic Rosing

CoRR, September, 2025

How KRAS Mutations Impair Intrinsic GTP Hydrolysis: Experimental and Computational Investigations.

Lin Frank Song, Dana Rabara, Semiha Kevser Bali, Jun Pei, Edmond Y. Lau, Daniel A. Kirshner, Felice C. Lightstone, Frank McCormick, Andrew G. Stephen, Yue Yang

J. Chem. Inf. Model., 2025

2023

Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method.

Garrett A. Stevenson, Dan Kirshner, Brian J. Bennion, Yue Yang, Xiaohua Zhang, Adam T. Zemla, Marisa W. Torres, Aidan Epstein, Derek Jones, Hyojin Kim, W. F. Drew Bennett, Sergio Ernesto Wong, Jonathan E. Allen, Felice C. Lightstone

J. Chem. Inf. Model., November, 2023

2021

High-throughput virtual screening of small molecule inhibitors for SARS-CoV-2 protein targets with deep fusion models.

Garrett A. Stevenson, Derek Jones, Hyojin Kim, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Max P. Katz, Daniel A. Kirshner, Victoria Lao, Edmond Y. Lau, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Oscar A. Negrete, Edwin A. Saada, Brent Segelke, Maxwell Stefan, Marisa W. Torres, Dina Weilhammer, Sergio Ernesto Wong, Yue Yang, Adam T. Zemla, Xiaohua Zhang, Fangqiang Zhu, Felice C. Lightstone, Jonathan E. Allen

Proceedings of the International Conference for High Performance Computing, 2021

2019

A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer.

Francesco Di Natale, Harsh Bhatia, Timothy S. Carpenter, Chris Neale, Sara Kokkila Schumacher, Tomas Oppelstrup, Liam Stanton, Xiaohua Zhang, Shiv Sundram, Thomas R. W. Scogland, Gautham Dharuman, Michael P. Surh, Yue Yang, Claudia Misale, Lars Schneidenbach, Carlos H. A. Costa, Changhoan Kim, Bruce D'Amora, Sandrasegaram Gnanakaran, Dwight V. Nissley, Frederick H. Streitz, Felice C. Lightstone, Peer-Timo Bremer, James N. Glosli, Helgi I. Ingólfsson

Proceedings of the International Conference for High Performance Computing, 2019