Virtual Reality Platform Based on Open Sourced Graphics Toolkit OpenSceneGraph. - Peng Yuan; Shujie Wang; Jiwei Zhang 008; Haiguang Liu (CAD/Graphics, 2007)

XFEL data analysis for structural biology. - Haiguang Liu; John C. H. Spence (Quant. Biol., 2016)

Protein Shape Retrieval. - Na Song; Daniela Craciun; Charles Christoffer; Xusi Han; Daisuke Kihara; Guillaume Levieux; Matthieu Montès; Hong Qin 001; Pranjal Sahu; Genki Terashi; Haiguang Liu (3DOR@Eurographics, 2017)

IDPM: an online database for ion distribution in protein molecules. - Xilun Xiang; Haiguang Liu (BMC Bioinform., 2018)

Protein Shape Retrieval Contest. - Florent Langenfeld; Apostolos Axenopoulos; Halim Benhabiles; Petros Daras; Andrea Giachetti 001; Xusi Han; Karim Hammoudi; Daisuke Kihara; Tuan Manh Lai; Haiguang Liu; Mahmoud Melkemi; Stelios K. Mylonas; et al. (3DOR@Eurographics, 2019)

GDP Release from the Open Conformation of Gα Requires Allosteric Signaling from the Agonist-Bound Human β2 Adrenergic Receptor. - Vikash Kumar; Hannah Hoag; Safaa Sader; Nicolas Scorese; Haiguang Liu; Chun Wu (J. Chem. Inf. Model., 2020)

Drug repurposing against SARS-CoV-2 receptor binding domain using ensemble-based virtual screening and molecular dynamics simulations. - Vikash Kumar; Haiguang Liu; Chun Wu (Comput. Biol. Medicine, 2021)

Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein. - Cecylia S. Lupala; Xuanxuan Li; Jian Lei; Hong Chen; Jianxun Qi; Haiguang Liu; Xiao-dong Su (Quant. Biol., 2021)

Variance-Reduced Randomized Kaczmarz Algorithm In Xfel Single-Particle Imaging Phase Retrieval. - Yin Xian; Haiguang Liu; Xuecheng Tai; Yang Wang 020 (ICIP, 2022)

Elucidation of partial activation of cannabinoid receptor type 2 and identification of potential partial agonists: Molecular dynamics simulation and structure-based virtual screening. - Abdullahi Ibrahim Uba; Harika Aluwala; Haiguang Liu; Chun Wu (Comput. Biol. Chem., 2022)

Computational insights into differential interaction of mammalian angiotensin-converting enzyme 2 with the SARS-CoV-2 spike receptor binding domain. - Cecylia S. Lupala; Vikash Kumar; Xiao-dong Su; Chun Wu; Haiguang Liu (Comput. Biol. Medicine, 2022)

SMT-DTA: Improving Drug-Target Affinity Prediction with Semi-supervised Multi-task Training. - Qizhi Pei; Lijun Wu 003; Jinhua Zhu 001; Yingce Xia; Shufang Xie 003; Tao Qin 001; Haiguang Liu; Tie-Yan Liu (CoRR, 2022)

Randomized Kaczmarz Method for Single Particle X-ray Image Phase Retrieval. - Yin Xian; Haiguang Liu; Xuecheng Tai; Yang Wang 020 (CoRR, 2022)

Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design. - Kehan Wu; Yingce Xia; Yang Fan; Pan Deng; Haiguang Liu; Lijun Wu 003; Shufang Xie 003; Tong Wang 014; Tao Qin 001; Tie-Yan Liu (CoRR, 2022)

Incorporating Pre-training Paradigm for Antibody Sequence-Structure Co-design. - Kaiyuan Gao; Lijun Wu 003; Jinhua Zhu 001; Tianbo Peng; Yingce Xia; Liang He 010; Shufang Xie 003; Tao Qin 001; Haiguang Liu; Kun He 001; Tie-Yan Liu (CoRR, 2022)

Direct Molecular Conformation Generation. - Jinhua Zhu 001; Yingce Xia; Chang Liu 030; Lijun Wu 003; Shufang Xie 003; Yusong Wang; Tong Wang 014; Tao Qin 001; Wengang Zhou 001; Houqiang Li; Haiguang Liu; Tie-Yan Liu (Trans. Mach. Learn. Res., 2022)

Distributed Multiple Line-Outages Detection in Power Grid With Finite Time Observer. - Yu Chen; Zhi-Wei Liu 002; Yaowen Yu; Bo Wang; Wei Yao 005; Haiguang Liu; Rusi Chen; Dahu Li (CBS, 2023)

Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design. - Kaiyuan Gao; Lijun Wu 003; Jinhua Zhu 001; Tianbo Peng; Yingce Xia; Liang He 010; Shufang Xie 003; Tao Qin 001; Haiguang Liu; Kun He 001; Tie-Yan Liu (KDD, 2023)

Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning. - Shuxin Zheng; Jiyan He; Chang Liu 030; Yu Shi; Ziheng Lu; Weitao Feng 001; Fusong Ju; Jiaxi Wang; Jianwei Zhu; Yaosen Min; He Zhang; Shidi Tang; et al. (CoRR, 2023)

Breaking the barriers of data scarcity in drug-target affinity prediction. - Qizhi Pei; Lijun Wu 003; Jinhua Zhu 001; Yingce Xia; Shufang Xie 003; Tao Qin 001; Haiguang Liu; Tie-Yan Liu; Rui Yan 001 (Briefings Bioinform., 2023)

Predicting equilibrium distributions for molecular systems with deep learning. - Shuxin Zheng; Jiyan He; Chang Liu 030; Yu Shi; Ziheng Lu; Weitao Feng 001; Fusong Ju; Jiaxi Wang; Jianwei Zhu; Yaosen Min; He Zhang; Shidi Tang; et al. (Nat. Mac. Intell., 2024)

Author Correction: Predicting equilibrium distributions for molecular systems with deep learning. - Shuxin Zheng; Jiyan He; Chang Liu 030; Yu Shi; Ziheng Lu; Weitao Feng 001; Fusong Ju; Jiaxi Wang; Jianwei Zhu; Yaosen Min; He Zhang; Shidi Tang; et al. (Nat. Mac. Intell., 2024)

Tailored self-supervised pretraining improves brain MRI diagnostic models. - Xinhao Huang; Zihao Wang; Weichen Zhou; Kexin Yang; Kaihua Wen; Haiguang Liu; Shoujin Huang; Mengye Lyu (Comput. Medical Imaging Graph., 2025)

Multivariate time series classification based on spatial-temporal attention dynamic graph neural network. - Lipeng Qian; Qiong Zuo; Haiguang Liu; Hong Zhu (Appl. Intell., 2025)

NatureLM: Deciphering the Language of Nature for Scientific Discovery. - Yingce Xia; Peiran Jin; Shufang Xie 003; Liang He 010; Chuan Cao; Renqian Luo; Guoqing Liu; Yue Wang 017; Zequn Liu; Yuan-Jyue Chen; Zekun Guo; Yeqi Bai; et al. (CoRR, 2025)

HybriDNA: A Hybrid Transformer-Mamba2 Long-Range DNA Language Model. - Mingqian Ma; Guoqing Liu; Chuan Cao; Pan Deng; Tri Dao; Albert Gu; Peiran Jin; Zhao Yang 006; Yingce Xia; Renqian Luo; Pipi Hu; Zun Wang; et al. (CoRR, 2025)

UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion. - Gongbo Zhang; Yanting Li; Renqian Luo; Pipi Hu; Zeru Zhao; Lingbo Li; Guoqing Liu; Zun Wang; Ran Bi; Kaiyuan Gao; Liya Guo; Yu Xie; et al. (CoRR, 2025)

CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions. - Yangzhe Peng; Kaiyuan Gao; Liang He 010; Yuheng Cong; Haiguang Liu; Kun He 001; Lijun Wu 003 (CoRR, 2025)