Publication Exploring the Regulatory Function of the N-terminal Domain of SARS-CoV-2 Spike Protein through Molecular Dynamics Simulation Yao Li, Tong Wang, Juanrong Zhang, Bin Shao, Haipeng Gong, Yusong Wang, Xinheng He, Siyuan Liu, Tie-Yan Liu Advanced Theory and Simulations | September 2021 "Top Downloaded Article" Award, Cover Story Project
Publication Exploring deep learning for air pollutant emission estimation Lin Huang, Song Liu, Zeyuan Yang, Jia Xing, Jia Zhang, Jiang Bian, Siwei Li, Shovan Kumar Sahu, Shuxiao Wang, Tie-Yan Liu Geoscientific Model Development | July 2021, Vol 14(7): pp. 4641-4654
Publication Complementing sequence-derived features with structural information extracted from fragment libraries for protein structure prediction Siyuan Liu, Qijiang Xu, Tong Wang, Bin Shao, Jian Yin, Tie-Yan Liu BMC Bioinformatics | June 2021, Vol 22(1): pp. 351-351
Publication Machine-learning Nonconservative Dynamics for New Physics Detection Ziming Liu, Bohan Wang, Qi Meng, Wei Chen, Max Tegmark, Tie-Yan Liu Physical Review E | June 2021
Publication SAMF: a Self-adaptive Protein Modeling Framework Wenze Ding, Qijiang Xu, Siyuan Liu, Tong Wang, Bin Shao, Haipeng Gong, Tie-Yan Liu Bioinformatics | May 2021 Project
Publication CopulaNet: Learning residue co-evolution directly from multiple sequence alignment for protein structure prediction Fusong Ju, Jianwei Zhu, Bin Shao, Lupeng Kong, Tie-Yan Liu, Wei-Mou Zheng, Dongbo Bu Nature Communications | May 2021, Vol 12(1): pp. 2535-2535 Project
Publication Deep learning for prediction of the air quality response to emission changes Jia Xing, Shuxin Zheng, Dian Ding, James T Kelly, Shuxiao Wang, Siwei Li, Tao Qin, Mingyuan Ma, Zhaoxin Dong, Carey J. Jang, Yun Zhu, Haotian Zheng, Lu Ren, Tie-Yan Liu, Jiming Hao Environmental Science & Technology | June 2020, Vol 54(14): pp. 8589-8600
Publication Constrained Graph Variational Autoencoders for Molecule Design Qi Liu, Miltos Allamanis, Marc Brockschmidt, Alexander Gaunt NIPS 2018 | December 2018 Project Project
Publication Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties. Tian Xie, Jeffrey Grossman Physical Review Letters | April 2018, Vol 120 14: pp. 145301
