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DockingGA: enhancing targeted molecule generation using transformer neural network and genetic algorithm with docking simulation 期刊论文
BRIEFINGS IN FUNCTIONAL GENOMICS, 2024, 页码: 12
作者:  Gao, Changnan;  Bao, Wenjie;  Wang, Shuang;  Zheng, Jianyang;  Wang, Lulu;  Ren, Yongqi;  Jiao, Linfang;  Wang, Jianmin;  Wang, Xun
收藏  |  浏览/下载：0/0  |  提交时间：2024/05/20
molecule generation  molecule optimization  drug discovery  deep learning  drug design  genetic algorithm  
Accelerating k-Shape Time Series Clustering Algorithm Using GPU 期刊论文
IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2023, 卷号: 34, 期号: 10, 页码: 2718-2734
作者:  Wang, Xun;  Song, Ruibao;  Xiao, Junmin;  Li, Tong;  Li, Xueqi
收藏  |  浏览/下载：6/0  |  提交时间：2023/12/04
Data space  time series analysis  time series clustering  GPU architecture  k-shape algorithm  
SSGraphCPI: A Novel Model for Predicting Compound-Protein Interactions Based on Deep Learning 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022, 卷号: 23, 期号: 7, 页码: 13
作者:  Wang, Xun;  Liu, Jiali;  Zhang, Chaogang;  Wang, Shudong
收藏  |  浏览/下载：20/0  |  提交时间：2022/12/07
deep learning  compound-protein interactions  compound properties  protein preperties  IC50 value  
CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction 期刊论文
BIOMOLECULES, 2021, 卷号: 11, 期号: 5, 页码: 9
作者:  Wang, Xun;  Liu, Dayan;  Zhu, Jinfu;  Rodriguez-Paton, Alfonso;  Song, Tao
收藏  |  浏览/下载：26/0  |  提交时间：2021/12/01
protein-ligand binding affinity  2-D structural CNN  spatial attention mechanism