Yingsheng John Zhang (Yingsheng Zhang, Yingsheng J Zhang)

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 9

Top Topics

Machine Learning

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

ACS medicinal chemistry letters

Journal of chemical theory and computation

Scientific reports

This page only lists publications with an associated author ORCID identifier.

Publications

Feng Zhou, Haolin Du, Yang Wang, Weiqiang Fu, Bingchen Zhao, Jielong Zhou, Yingsheng John Zhang
Deciphering the Selectivity of CBL-B Inhibitors Using All-Atom Molecular Dynamics and Machine Learning. ACS medicinal chemistry letters 15 (7) (2024)
Feng Zhou, Haolin Du, Yang Wang, Weiqiang Fu, Bingchen Zhao, Jielong Zhou, Yingsheng John Zhang
Deciphering the Selectivity of CBL-B Inhibitors Using All-Atom Molecular Dynamics and Machine Learning. ACS medicinal chemistry letters 15 (7) (2024)
Weiqiang Fu, Yujie Mo, Yi Xiao, Chang Liu, Feng Zhou, Yang Wang, Jielong Zhou, Yingsheng John Zhang
Enhancing Molecular Energy Predictions with Physically Constrained Modifications to the Neural Network Potential. Journal of chemical theory and computation (2024)
Weiqiang Fu, Yujie Mo, Yi Xiao, Chang Liu, Feng Zhou, Yang Wang, Jielong Zhou, Yingsheng John Zhang
Enhancing Molecular Energy Predictions with Physically Constrained Modifications to the Neural Network Potential. Journal of chemical theory and computation 20 (11) (2024)
Weisheng Zheng, Mengchen Pu, Xiaorong Li, Zhaolan Du, Sutong Jin, Xingshuai Li, Jielong Zhou, Yingsheng John Zhang
Deep learning model accurately classifies metastatic tumors from primary tumors based on mutational signatures. Scientific reports 13 (1) (2023)
Lanying Wei, Yucui Xin, Mengchen Pu, Yingsheng John Zhang
Patient-specific analysis of co-expression to measure biological network rewiring in individuals. Life science alliance 7 (2) (2023)
Feng Zhou, Shiqiu Yin, Yi Xiao, Zaiyun Lin, Weiqiang Fu, Yingsheng John Zhang
Structure-Kinetic Relationship for Drug Design Revealed by a PLS Model with Retrosynthesis-Based Pre-Trained Molecular Representation and Molecular Dynamics Simulation. ACS omega 8 (20) (2023)
Zaiyun Lin, Shiqiu Yin, Lei Shi, Wenbiao Zhou, Yingsheng John Zhang
G2GT: Retrosynthesis Prediction with Graph-to-Graph Attention Neural Network and Self-Training. Journal of chemical information and modeling (2023)
Liming Zhao, Mengchen Pu, Huting Wang, Xiangyu Ma, Yingsheng John Zhang
Modified Electrostatic Complementary Score Function and Its Application Boundary Exploration in Drug Design. Journal of chemical information and modeling 62 (18) (2022)