Jianfeng Pei

Chinese Academy of Medical Sciences & Peking Union Medical College — China

Computer Science · Physical Sciences

38h-index7.7kcitations136works4.62yr avg
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Research Topics

Computational Drug Discovery Methods(79), Machine Learning in Materials Science(31), Protein Structure and Dynamics(26), Chemical Synthesis and Analysis(15), Click Chemistry and Applications(8)

Publications136 total

3D Molecule Generation
2025
Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction
Journal of Chemical Information and Modeling·2025· 7 cited
MGTbind: a comprehensive database of molecular glue ternary interactome
Nucleic Acids Research·2025· 3 citedOpen Access
A New Feature Extraction Algorithm for Skeleton-Based Human Action Recognition
Lecture notes of the Institute for Computer Sciences, Social Informatics and Telecommunications Engineering·2025
Identification and Functional Disparity of Pheromone-Binding Proteins from Tomato Leafminer <i>Tuta absoluta</i> in Detection of Sex Pheromone Components
Journal of Agricultural and Food Chemistry·2025
Unveiling optimal molecular features for hERG insights with automatic machine learning
Journal of Pharmaceutical Analysis·2025· 1 citedOpen Access
Effects of replacing soybean meal with an equivalent amount of fermented feed on the production performance and egg and meat quality of laying hens during the late laying period
Archives animal breeding/Archiv für Tierzucht·2025· 1 citedOpen Access
Comparative assessment of co-folding methods for molecular glue ternary structure prediction
2025· 3 citedOpen Access
Author Correction: Accelerating discovery of bioactive ligands with pharmacophore-informed generative models
Nature Communications·2025Open Access
Artificial intelligence guided Raman spectroscopy in biomedicine: Applications and prospects
Journal of Pharmaceutical Analysis·2025· 5 citedOpen Access
Biomedical data and AI
Science China Life Sciences·2025· 2 cited
Accelerating discovery of bioactive ligands with pharmacophore-informed generative models
Nature Communications·2025· 16 citedOpen Access
RefineScore: Improving Ligand Docking Accuracy and Interpretability by Predicting MDN Corrective Physical Interactions
2025Open Access
RefineScore: Improving Ligand Docking Accuracy and Interpretability by Predicting MDN Corrective Physical Interactions
2025Open Access
Structure and Pseudo-Ligand Based Drug Discovery for Disease Targets
Communications in computer and information science·2025
DeepRLI: a multi-objective framework for universal protein–ligand interaction prediction
Digital Discovery·2025· 3 citedOpen Access
Structure-Based Screening and Optimization of PafA Inhibitors with Potent Anti-Tuberculosis Activity
International Journal of Molecular Sciences·2024· 1 citedOpen Access
Reacon: a template- and cluster-based framework for reaction condition prediction
Chemical Science·2024· 7 citedOpen Access
Incidence trends and specific risk factors of ischemic heart disease and stroke: An ecological analysis based on the Global Burden of Disease 2019
PLOS Global Public Health·2024· 6 citedOpen Access
DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking
arXiv (Cornell University)·2024· 2 citedOpen Access
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Frequent Co-authors

Luhua Lai(41), Youjun Xu(9), Shiwei Wang(7), Yaxia Yuan(6), Ning Yin(6), Weilin Zhang(5), Ping Wei(4), Changkang Huang(4), Tanlin Sun(3), Fangjin Chen(3), Keqiang Fan(3), Lu Zhou(3), Kun Yang(3), Zhenming Liu(3), Yihang Shen(2), Xiaofeng Liu(2), Honglin Li(2), Shuaishi Gao(2), Qiwan Hu(2), Xiaomin Ma(2)