Huanxiang Liu

发表

Experiment and molecular dynamics simulations reveal proanthocyanidin B2 and B3 can inhibit prion aggregation by different mechanisms

Yongchang Zhu, H. Tong, Xiaoxiao Meng, 2023, Journal of biomolecular structure & dynamics.

Deep Generation Model Guided by the Docking Score for Active Molecular Design.

Chang-Yu Hsieh, Tingjun Hou, Yuwei Yang, 2023, Journal of chemical information and modeling.

Improving drug-target affinity prediction via feature fusion and knowledge distillation

Yuquan Li, Yiting Pan, Peng Gao, 2023, Briefings Bioinform..

Application of computational approaches in biomembranes: From structure to function

Lili Xi, Lei Wu, Y. Mu, 2023, WIREs Computational Molecular Science.

Bioinformatics toolbox for exploring target mutation-induced drug resistance

B. Song, Gefei Hao, Yuan-qin Huang, 2023, Briefings Bioinform..

FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization.

Jike Wang, P. Pan, Dan Li, 2023, Journal of medicinal chemistry.

Unveiling the Selectivity Mechanism of Type-I LRRK2 Inhibitors by Computational Methods: Insights from Binding Thermodynamics and Kinetics Simulation.

Qianqian Zhang, Peng Gao, Guotong Xie, 2023, ACS chemical neuroscience.

Discovery of novel and potent InhA direct inhibitors by ensemble docking-based virtual screening and biological assays

Yongchang Zhu, H. H. Tong, Qianqian Zhang, 2023, Journal of Computer-Aided Molecular Design.

CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules.

Xiaojun Yao, Yuquan Li, Xiaorui Wang, 2023, Journal of Chemical Information and Modeling.

MpbPPI: a multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein–protein interactions

Henry H. Y. Tong, Sha He, Yang Yue, 2023, Briefings Bioinform..

Artificial intelligence methods in kinase target profiling: advances and challenges.

Yu Kang, Huanxiang Liu, Shukai Gu, 2023, Drug discovery today.

Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design

Qianqian Zhang, Huanxiang Liu, Lingling Wang, 2024, WIREs Computational Molecular Science.

Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios.

Yu Kang, Xiaorui Wang, Huanxiang Liu, 2024, Journal of chemical information and modeling.