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2020 – today
- 2024
[j7]Huifeng Zhao
, Dejun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Tingjun Hou, Yu Kang:
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. J. Chem. Inf. Model. 64(6): 2112-2124 (2024)- 2023
- [j6]Xujun Zhang, Chao Shen, Dejun Jiang, Jintu Zhang, Qing Ye, Lei Xu, Tingjun Hou, Peichen Pan, Yu Kang:
TB-IECS: an accurate machine learning-based scoring function for virtual screening. J. Cheminformatics 15(1): 63 (2023) - [j5]Jintu Zhang, Haotian Zhang, Zhixin Qin, Yu Kang, Xin Hong, Tingjun Hou:
Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials. J. Chem. Inf. Model. 63(4): 1133-1142 (2023) - [j4]Haiyi Chen, Yue Guo, Shengqing Ye, Jintu Zhang, Haotian Zhang, Na Liu, Rui Zhou, Tingjun Hou, Hongguang Xia, Yu Kang, Mojie Duan:
On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate. J. Chem. Inf. Model. 63(16): 5232-5243 (2023) - [j3]Zhe Wang, Haiyang Zhong, Jintu Zhang, Peichen Pan, Dong Wang, Huanxiang Liu, Xiaojun Yao, Tingjun Hou, Yu Kang:
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets. J. Chem. Inf. Model. 63(21): 6525-6536 (2023) - [j2]Odin Zhang, Jintu Zhang, Jieyu Jin, Xujun Zhang, Renling Hu, Chao Shen, Hanqun Cao, Hongyan Du, Yu Kang, Yafeng Deng, Furui Liu, Guangyong Chen, Chang-Yu Hsieh, Tingjun Hou:
ResGen is a pocket-aware 3D molecular generation model based on parallel multiscale modelling. Nat. Mac. Intell. 5(9): 1020-1030 (2023) - [j1]Xujun Zhang, Odin Zhang, Chao Shen, Wanglin Qu, Shicheng Chen, Hanqun Cao, Yu Kang, Zhe Wang, Ercheng Wang, Jintu Zhang, Yafeng Deng, Furui Liu, Tianyue Wang, Hongyan Du, Langcheng Wang, Peichen Pan, Guangyong Chen, Chang-Yu Hsieh, Tingjun Hou:
Efficient and accurate large library ligand docking with KarmaDock. Nat. Comput. Sci. 3(9): 789-804 (2023) - [i1]Haotian Zhang, Jintu Zhang, Huifeng Zhao, Dejun Jiang, Yafeng Deng:
Infinite Physical Monkey: Do Deep Learning Methods Really Perform Better in Conformation Generation? CoRR abs/2304.10494 (2023)
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