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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：2/0  |  提交时间：2024/05/20
molecule generation  molecule optimization  drug discovery  deep learning  drug design  genetic algorithm  
DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening 期刊论文
METHODS, 2022, 卷号: 205, 页码: 247-262
作者:  Zhang, Haiping;  Zhang, Tingting;  Saravanan, Konda Mani;  Liao, Linbu;  Wu, Hao;  Zhang, Haishan;  Zhang, Huiling;  Pan, Yi;  Wu, Xuli;  Wei, Yanjie
收藏  |  浏览/下载：14/0  |  提交时间：2023/07/12
Native like protein-ligand  Drug virtual screening  ResNet  Deep learning  Human pancreatic alpha amylase inhibitor  
Toward practical quantum embedding simulation of realistic chemical systems on near-term quantum computers 期刊论文
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 31, 页码: 8953-8962
作者:  Li, Weitang;  Huang, Zigeng;  Cao, Changsu;  Huang, Yifei;  Shuai, Zhigang;  Sun, Xiaoming;  Sun, Jinzhao;  Yuan, Xiao;  Lv, Dingshun
收藏  |  浏览/下载：13/0  |  提交时间：2023/07/12
A Review of Deep Learning Application on Drug Activity Prediction 期刊论文
PROGRESS IN BIOCHEMISTRY AND BIOPHYSICS, 2022, 卷号: 49, 期号: 8, 页码: 1498-1519
作者:  Liu Li-Mei;  Chen Xiao-Jin;  Sun Shi-Wei;  Wang Yu;  Wang Hui;  Mei Shu-Li;  Wang Yao-Jun
收藏  |  浏览/下载：13/0  |  提交时间：2023/07/12
machine learning  deep learning  molecular drug  activity prediction  
Validation of Deep Learning-Based DFCNN in Extremely Large-Scale Virtual Screening and Application in Trypsin I Protease Inhibitor Discovery 期刊论文
FRONTIERS IN MOLECULAR BIOSCIENCES, 2022, 卷号: 9, 页码: 15
作者:  Zhang, Haiping;  Lin, Xiao;  Wei, Yanjie;  Zhang, Huiling;  Liao, Linbu;  Wu, Hao;  Pan, Yi;  Wu, Xuli
收藏  |  浏览/下载：23/0  |  提交时间：2022/12/07
extremely large-scale virtual screening  deep learning  DFCNN  Trypsin I Protease  de novo drug screening  
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：23/0  |  提交时间：2022/12/07
deep learning  compound-protein interactions  compound properties  protein preperties  IC50 value  
COVID19db: a comprehensive database platform to discover potential drugs and targets of COVID-19 at whole transcriptomic scale 期刊论文
NUCLEIC ACIDS RESEARCH, 2022, 卷号: 50, 期号: D1, 页码: D747-D757
作者:  Zhang, Wenliang;  Zhang, Yan;  Min, Zhuochao;  Mo, Jing;  Ju, Zhen;  Guan, Wen;  Zeng, Binghui;  Liu, Yang;  Chen, Jianliang;  Zhang, Qianshen;  Li, Hanguang;  Zeng, Chunxia;  Wei, Yanjie;  Chan, Godfrey Chi-Fung
收藏  |  浏览/下载：19/0  |  提交时间：2022/12/07
Oridonin inhibits DNMT3A R882 mutation-driven clonal hematopoiesis and leukemia by inducing apoptosis and necroptosis 期刊论文
CELL DEATH DISCOVERY, 2021, 卷号: 7, 期号: 1, 页码: 12
作者:  Liao, Min;  Dong, Qiongye;  Chen, Ruiqing;  Xu, Liqian;  Jiang, Yuxuan;  Guo, Zhenxing;  Xiao, Min;  He, Wei;  Cao, Changcai;  Hu, Ronghua;  Sun, Wanling;  Jiang, Hong;  Wang, Jianwei
收藏  |  浏览/下载：37/0  |  提交时间：2021/12/01
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：27/0  |  提交时间：2021/12/01
protein-ligand binding affinity  2-D structural CNN  spatial attention mechanism  
HERB: a high-throughput experiment- and reference-guided database of traditional Chinese medicine 期刊论文
NUCLEIC ACIDS RESEARCH, 2021, 卷号: 49, 期号: D1, 页码: D1197-D1206
作者:  Fang, ShuangSang;  Dong, Lei;  Liu, Liu;  Guo, JinCheng;  Zhao, LianHe;  Zhang, JiaYuan;  Bu, DeChao;  Liu, XinKui;  Huo, PeiPei;  Cao, WanChen;  Dong, QiongYe;  Wu, JiaRui;  Zeng, Xiaoxi;  Wu, Yang;  Zhao, Yi
收藏  |  浏览/下载：40/0  |  提交时间：2021/12/01