Yishui Li

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 7

Top Topics

Delaunay Triangulation

Virtual Screening

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

SpaCCS Workshops

Comput. Biol. Chem.

Frontiers Inf. Technol. Electron. Eng.

Publications

Yishui Li, Wei Wang, Jie Liu, Chengkun Wu
Pre-training molecular representation model with spatial geometry for property prediction. Comput. Biol. Chem. 109 (2024)
Yishui Li, Runduo Liu, Jie Liu, Haibin Luo, Chengkun Wu, Zhe Li
An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations. J. Chem. Inf. Model. 63 (2) (2023)
Zhe Li, Chengkun Wu, Yishui Li, Runduo Liu, Kai Lu, Ruibo Wang, Jie Liu, Chunye Gong, Canqun Yang, Xin Wang, Chang-Guo Zhan, Hai-Bin Luo
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19. Int. J. High Perform. Comput. Appl. 37 (1) (2023)
Liping Zhou, Tingting Liu, Mengxia Mo, Yulong Shi, Leyun Wu, Yishui Li, Qiuping Qin, Weiliang Zhu, Chengkun Wu, Likun Gong, Zhijian Xu
Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay. J. Chem. Inf. Model. 62 (18) (2022)
Yishui Li, Xinhai Chen, Jie Liu, Bo Yang, Chunye Gong, Xinbiao Gan, Shengguo Li, Han Xu
OHTMA: an optimized heuristic topology-aware mapping algorithm on the Tianhe-3 exascale supercomputer prototype. Frontiers Inf. Technol. Electron. Eng. 21 (6) (2020)
Yishui Li, Peizhen Xie, Xinhai Chen, Jie Liu, Bo Yang, Shengguo Li, Chunye Gong, Xinbiao Gan, Han Xu
VBSF: a new storage format for SIMD sparse matrix-vector multiplication on modern processors. J. Supercomput. 76 (3) (2020)
Yishui Li, Hui Li, Mei Chen, Zhenyu Dai, Ming Zhu
Characterizing the Scalability and Performance of Analytic Database System. SpaCCS Workshops (2016)