Tingjun Hou
Zhejiang University
H-index: 82
Asia-China
Top articles of Tingjun Hou
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Deep Lead Optimization: Leveraging Generative AI for Structural Modification | arXiv preprint arXiv:2404.19230 | Odin Zhang Haitao Lin Hui Zhang Huifeng Zhao Yufei Huang | 2024/4/30 |
Rediscmol: Benchmarking molecular generation models in biological properties | Journal of Medicinal Chemistry | Gaoqi Weng Huifeng Zhao Dou Nie Haotian Zhang Liwei Liu | 2024/1/5 |
OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds | Jiacai Yi Shaohua Shi Li Fu Ziyi Yang Pengfei Nie | 2024/1/23 | |
Multiscale topology in interactomic network: From transcriptome to antiaddiction drug repurposing | Briefings in Bioinformatics | Hongyan Du Guo-Wei Wei Tingjun Hou | 2024/3/1 |
Combining transition path sampling with data-driven collective variables through a reactivity-biased shooting algorithm | arXiv preprint arXiv:2404.02597 | Jintu Zhang Odin Zhang Luigi Bonati TingJun Hou | 2024/4/3 |
Recent advances in the development of DprE1 inhibitors using AI/CADD approaches | Kepeng Chen Ruolan Xu Xueping Hu Dan Li Tingjun Hou | 2024/4/25 | |
CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training | Chemical Science | Heng Cai Chao Shen Tianye Jian Xujun Zhang Tong Chen | 2024 |
Discovery of N-(1-(6-Oxo-1,6-dihydropyrimidine)-pyrazole) Acetamide Derivatives as Novel Noncovalent DprE1 Inhibitors against Mycobacterium tuberculosis | Journal of Medicinal Chemistry | Liu Yang Xueping Hu Yang Lu Ruolan Xu Yaping Xu | 2024/1/17 |
Sample-efficient multi-objective molecular optimization with gflownets | Advances in Neural Information Processing Systems | Yiheng Zhu Jialu Wu Chaowen Hu Jiahuan Yan Tingjun Hou | 2024/2/13 |
Comprehensive, Open-Source, and Automated Workflow for Multisite λ-Dynamics in Lead Optimization | Journal of Chemical Theory and Computation | Renling Hu Jintu Zhang Yu Kang Zhe Wang Peichen Pan | 2024/2/1 |
AMGC is a multiple-task graph neutral network for epigenetic target profiling | Cell Reports Physical Science | Shukai Gu Lingjie Bao Yuwei Yang Yihao Zhao Henry Hoi Yee Tong | 2024/2/28 |
A general model for predicting enzyme functions based on enzymatic reactions | Journal of Cheminformatics | Wenjia Qian Xiaorui Wang Yu Kang Peichen Pan Tingjun Hou | 2024/3/31 |
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios | Journal of Chemical Information and Modeling | Shukai Gu Yuwei Yang Yihao Zhao Jiayue Qiu Xiaorui Wang | 2024/4/17 |
Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA–ligand complexes | Physical Chemistry Chemical Physics | Gaoqi Weng Ercheng Wang Fu Chen Huiyong Sun Zhe Wang | 2019 |
In silico gating mechanism studies and modulator discovery for MscL | Junmei Wang Paul Blount Tingjun Hou Masahiro Sokabe | 2024/2/9 | |
Generative AI for Controllable Protein Sequence Design: A Survey | arXiv preprint arXiv:2402.10516 | Yiheng Zhu Zitai Kong Jialu Wu Weize Liu Yuqiang Han | 2024/2/16 |
Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation | Odin Zhang Yufei Huang Shichen Cheng Mengyao Yu Xujun Zhang | 2024/3/15 | |
AAVDiff: Experimental Validation of Enhanced Viability and Diversity in Recombinant Adeno-Associated Virus (AAV) Capsids through Diffusion Generation | arXiv preprint arXiv:2404.10573 | Lijun Liu Jiali Yang Jianfei Song Xinglin Yang Lele Niu | 2024/4/16 |
Recent advances in deep learning for retrosynthesis | Zipeng Zhong Jie Song Zunlei Feng Tiantao Liu Lingxiang Jia | 2024/1 | |
Dissecting the role of ALK double mutations in drug resistance to lorlatinib with in-depth theoretical modeling and analysis | Computers in Biology and Medicine | Xing Zhang Jianbo Tong Tianhao Wang Tianyue Wang Lei Xu | 2024/2/1 |
Co-Authors
