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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：16/0  |  提交时间：2024/05/20
molecule generation  molecule optimization  drug discovery  deep learning  drug design  genetic algorithm  
A retrospective study on the mechanism underlying quick transfer from response to resistance in a repeated recurrent chordoma patient with molecular alterations treated with Palbociclib 期刊论文
JOURNAL OF CANCER RESEARCH AND CLINICAL ONCOLOGY, 2024, 卷号: 150, 期号: 2, 页码: 9
作者:  Zhong, Nanzhe;  Yu, Dong;  Yang, Minglei;  Lu, Xingyi;  Zhang, Qiangzu;  Wei, Wei;  Jiao, Jian;  Yang, Xinghai;  Zhu, Zhi;  Chen, Su;  Xiao, Jianru
收藏  |  浏览/下载：38/0  |  提交时间：2024/05/20
Chordoma  Palbociclib  Genomic features  Drug resistance  
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：24/0  |  提交时间：2023/07/12
Native like protein-ligand  Drug virtual screening  ResNet  Deep learning  Human pancreatic alpha amylase inhibitor  
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：21/0  |  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：33/0  |  提交时间：2022/12/07
extremely large-scale virtual screening  deep learning  DFCNN  Trypsin I Protease  de novo drug screening  
Editorial: Computational Learning Models and Methods Driven by Omics for Precision Medicine 期刊论文
FRONTIERS IN GENETICS, 2020, 卷号: 11, 页码: 4
作者:  Zhu, Lei;  Cai, Hongmin;  Zhang, Fa;  Zou, Quan;  Wei, Yanjie;  Zheng, Huiru
收藏  |  浏览/下载：37/0  |  提交时间：2021/12/01
omics  machine learning  drug  RNA  disease  biomarker  network analysis  deep learning  
Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 页码: 9
作者:  Saravanan, Konda Mani;  Zhang, Haiping;  Senthil, Renganathan;  Vijayakumar, Kevin Kumar;  Sounderrajan, Vignesh;  Wei, Yanjie;  Shakila, Harshavardhan
收藏  |  浏览/下载：105/0  |  提交时间：2020/12/10
SARS-CoV2  main protease  medicinal plants  molecular docking and dynamics  drug design  
Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov 期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2020, 页码: 9
作者:  Zhang, Haiping;  Saravanan, Konda Mani;  Yang, Yang;  Hossain, Md Tofazzal;  Li, Junxin;  Ren, Xiaohu;  Pan, Yi;  Wei, Yanjie
收藏  |  浏览/下载：61/0  |  提交时间：2020/12/10
Coronavirus  Deep learning  Drug screening  Homology modeling  3C-like protease  
Landscape of Big Medical Data: A Pragmatic Survey on Prioritized Tasks 期刊论文
IEEE ACCESS, 2019, 卷号: 7, 页码: 15590-15611
作者:  Zhang, Zhifei;  Gao, Wanling;  Zhang, Fan;  Huang, Yunyou;  Dai, Shaopeng;  Fan, Fanda;  Zhan, Jianfeng;  Du, Mengjia;  Yin, Silin;  Xiong, Longxin;  Du, Juan;  Cheng, Yumei;  Zhou, Xiexuan;  Ren, Rui;  Wang, Lei;  Ye, Hainan
收藏  |  浏览/下载：79/0  |  提交时间：2019/04/03
Big medical data  quantified self  disease classification  disease diagnosis  drug discovery  publicly available data  benchmarks  algorithms  systems  multi-disciplinary collaboration  
Drug-target interaction prediction: databases, web servers and computational models 期刊论文
BRIEFINGS IN BIOINFORMATICS, 2016, 卷号: 17, 期号: 4, 页码: 696-712
作者:  Chen, Xing;  Yan, Chenggang Clarence;  Zhang, Xiaotian;  Zhang, Xu;  Dai, Feng;  Yin, Jian;  Zhang, Yongdong
收藏  |  浏览/下载：63/0  |  提交时间：2019/12/13
drug-target interactions prediction  drug discovery  computational models  biological networks  machine learning