Xuemei Pu (Xumei Pu)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 25

Top Topics

Machine Learning

Crystal Structure

Top Venues

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

Nature communications

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

Publications

Jianfang Chen, Qiaoling Gou, Xin Chen, Yuanpeng Song, Fuhui Zhang, Xuemei Pu
Exploring biased activation characteristics by molecular dynamics simulation and machine learning for the μ-opioid receptor. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Jianfang Chen, Qiaoling Gou, Xin Chen, Yuanpeng Song, Fuhui Zhang, Xuemei Pu
Exploring biased activation characteristics by molecular dynamics simulation and machine learning for the μ-opioid receptor. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Jianfang Chen, Qiaoling Gou, Xin Chen, Yuanpeng Song, Fuhui Zhang, Xuemei Pu
Exploring biased activation characteristics by molecular dynamics simulation and machine learning for the μ-opioid receptor. Physical chemistry chemical physics : PCCP (2024)
Jianfang Chen, Qiaoling Gou, Xin Chen, Yuanpeng Song, Fuhui Zhang, Xuemei Pu
Exploring biased activation characteristics by molecular dynamics simulation and machine learning for the μ-opioid receptor. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Xin Chen, Kexin Wang, Jianfang Chen, Chao Wu, Jun Mao, Yuanpeng Song, Yijing Liu, Zhenhua Shao, Xuemei Pu
Integrative residue-intuitive machine learning and MD Approach to Unveil Allosteric Site and Mechanism for β2AR. Nature communications 15 (1) (2024)
Jian He, Menglong Li, Jiangguo Qiu, Xuemei Pu, Yanzhi Guo
HOPEXGB: A Consensual Model for Predicting miRNA/lncRNA-Disease Associations Using a Heterogeneous Disease-miRNA-lncRNA Information Network. Journal of chemical information and modeling (2023)
Jiali Guo, Ming Sun, Xueyan Zhao, Chaojie Shi, Haoming Su, Yanzhi Guo, Xuemei Pu
General Graph Neural Network-Based Model To Accurately Predict Cocrystal Density and Insight from Data Quality and Feature Representation. Journal of chemical information and modeling 63 (4) (2023)
Jiali Guo, Ming Sun, Xueyan Zhao, Chaojie Shi, Haoming Su, Yanzhi Guo, Xuemei Pu
General Graph Neural Network-Based Model To Accurately Predict Cocrystal Density and Insight from Data Quality and Feature Representation. Journal of chemical information and modeling 63 (4) (2023)
Jiali Guo, Ming Sun, Xueyan Zhao, Chaojie Shi, Haoming Su, Yanzhi Guo, Xuemei Pu
General Graph Neural Network-Based Model To Accurately Predict Cocrystal Density and Insight from Data Quality and Feature Representation. Journal of chemical information and modeling (2023)
Yanling Wu, Kun Li, Menglong Li, Xuemei Pu, Yanzhi Guo
Attention Mechanism-Based Graph Neural Network Model for Effective Activity Prediction of SARS-CoV-2 Main Protease Inhibitors: Application to Drug Repurposing as Potential COVID-19 Therapy. Journal of chemical information and modeling (2023)
Chuan Li, Chenghui Wang, Ming Sun, Yan Zeng, Yuan Yuan, Qiaolin Gou, Guangchuan Wang, Yanzhi Guo, Xuemei Pu
Correlated RNN Framework to Quickly Generate Molecules with Desired Properties for Energetic Materials in the Low Data Regime. Journal of chemical information and modeling 62 (20) (2022)
Yanju Luo, Kai Zhang, Zhenming Ding, Ping Chen, Xiaomei Peng, Yihuan Zhao, Kuan Chen, Chuan Li, Xujun Zheng, Yan Huang, Xuemei Pu, Yu Liu, Shi-Jian Su, Xiandeng Hou, Zhiyun Lu
Ultra-fast triplet-triplet-annihilation-mediated high-lying reverse intersystem crossing triggered by participation of nπ*-featured excited states. Nature communications 13 (1) (2022)
Jian He, Yanling Wu, Xuemei Pu, Menglong Li, Yanzhi Guo
A Transfer-Learning-Based Deep Convolutional Neural Network for Predicting Leukemia-Related Phosphorylation Sites from Protein Primary Sequences. International journal of molecular sciences 23 (3) (2022)
Chuan Li, Jiangting Liu, Jianfang Chen, Yuan Yuan, Jin Yu, Qiaolin Gou, Yanzhi Guo, Xuemei Pu
An Interpretable Convolutional Neural Network Framework for Analyzing Molecular Dynamics Trajectories: a Case Study on Functional States for G-Protein-Coupled Receptors. Journal of chemical information and modeling 62 (6) (2022)
Xin Chen, Yuan Yuan, Yichi Chen, Jin Yu, Jingzhou Wang, Jianfang Chen, Yanzhi Guo, Xuemei Pu
Biased Activation Mechanism Induced by GPCR Heterodimerization: Observations from μOR/δOR Dimers. Journal of chemical information and modeling 62 (22) (2022)
Fuhui Zhang, Yuan Yuan, Yichi Chen, Jianfang Chen, Yanzhi Guo, Xuemei Pu
Molecular insights into the allosteric coupling mechanism between an agonist and two different transducers for μ-opioid receptors. Physical chemistry chemical physics : PCCP 24 (9) (2022)
Jianfang Chen, Jiangting Liu, Yuan Yuan, Xin Chen, Fuhui Zhang, Xuemei Pu
Molecular Mechanisms of Diverse Activation Stimulated by Different Biased Agonists for the β2-Adrenergic Receptor. Journal of chemical information and modeling (2021)
Fuhui Zhang, Xin Chen, Jianfang Chen, Yanjiani Xu, Shiqi Li, Yanzhi Guo, Xuemei Pu
Probing Allosteric Regulation Mechanism of W7.35 on Agonist-Induced Activity for μOR by Mutation Simulation. Journal of chemical information and modeling (2021)
Yunhao Xie, Yijing Liu, Renling Hu, Xu Lin, Jing Hu, Xuemei Pu
A property-oriented adaptive design framework for rapid discovery of energetic molecules based on small-scale labeled datasets. RSC advances 11 (41) (2021)
Yuanyuan Jiang, Zongwei Yang, Jiali Guo, Hongzhen Li, Yijing Liu, Yanzhi Guo, Menglong Li, Xuemei Pu
Coupling complementary strategy to flexible graph neural network for quick discovery of coformer in diverse co-crystal materials. Nature communications 12 (1) (2021)
Wenxin Dai, Yuqing Mao, Rongao Yuan, Yijing Liu, Xuemei Pu, Chuan Li
A Novel Detector Based on Convolution Neural Networks for Multiscale SAR Ship Detection in Complex Background. Sensors (Basel, Switzerland) 20 (9) (2020)
Xiao Qin, Ming Li, Minghui Xiang, Yi Luo, Yan Jiao, Rongao Yuan, Ning Wang, Zhiyun Lu, Xuemei Pu
Probing the Effects of the Number and Positions of -OCH3 and -CN Substituents on Color Tuning of Ir(III) Complex Derivatives through a Joint Computational and Experimental Study. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (3) (2019)
Ting Lei, Zhenxin Hu, Ruolin Ding, Jianfang Chen, Shiqi Li, Fuhui Zhang, Xuemei Pu, Nanrong Zhao
Exploring the Activation Mechanism of a Metabotropic Glutamate Receptor Homodimer via Molecular Dynamics Simulation. ACS chemical neuroscience 11 (2) (2019)
Fuhui Zhang, Yuan Yuan, Minghui Xiang, Yanzhi Guo, Menglong Li, Yijing Liu, Xuemei Pu
Molecular Mechanism Regarding Allosteric Modulation of Ligand Binding and the Impact of Mutations on Dimerization for CCR5 Homodimer. Journal of chemical information and modeling 59 (5) (2019)
Fuhui Zhang, Yuan Yuan, Haiyan Li, Liting Shen, Yanzhi Guo, Zhining Wen, Xuemei Pu
Using accelerated molecular dynamics simulation to shed light on the mechanism of activation/deactivation upon mutations for CCR5. RSC advances 8 (66) (2018)