Xiaoqing Guan

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 4

Top Topics

Electron Transfer

Molecular Dynamics Simulations

Network Analysis

Top Venues

Journal of chemical theory and computation

Chemical research in toxicology

Journal of chemical information and modeling

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

Publications

Ruixuan Wang, Zhikang Liu, Jiahao Gong, Qingping Zhou, Xiaoqing Guan, Guang-Bo Ge
An Uncertainty-Guided Deep Learning Method Facilitates Rapid Screening of CYP3A4 Inhibitors. Journal of chemical information and modeling (2023)
Wenxuan Wu, Jiayu Qian, Changjie Liang, Jingya Yang, Guang-Bo Ge, Qingping Zhou, Xiaoqing Guan
GeoDILI: A Robust and Interpretable Model for Drug-Induced Liver Injury Prediction Using Graph Neural Network-Based Molecular Geometric Representation. Chemical research in toxicology (2023)
Xiaoqing Guan, Dong-Qing Wei, Dan Hu
Free Energy Calculation of Transmembrane Ion Permeation: Sample with a Single Reaction Coordinate and Analysis along Transition Path. Journal of chemical theory and computation 15 (2) (2019)
Xiaoqing Guan, Dong-Qing Wei, Dan Hu
Free Energy Calculations on the Water-Chain-Assisted and the Dehydration Mechanisms of Transmembrane Ion Permeation. Journal of chemical theory and computation 16 (1) (2019)