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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  
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：8/0  |  提交时间：2024/05/20
Chordoma  Palbociclib  Genomic features  Drug resistance  
Identification of Key Genes as Potential Drug Targets for Gastric Cancer 期刊论文
TSINGHUA SCIENCE AND TECHNOLOGY, 2023, 卷号: 28, 期号: 4, 页码: 649-664
作者:  Hossain, Md. Tofazzal;  Reza, Md. Selim;  Peng, Yin;  Feng, Shengzhong;  Wei, Yanjie
收藏  |  浏览/下载：16/0  |  提交时间：2023/07/12
gastric cancer  hub genes  candidate genes  molecular docking  candidate drugs  
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  
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  
An Efficient Modern Strategy to Screen Drug Candidates Targeting RdRp of SARS-CoV-2 With Potentially High Selectivity and Specificity 期刊论文
FRONTIERS IN CHEMISTRY, 2022, 卷号: 10, 页码: 13
作者:  Zhang, Haiping;  Gong, Xiaohua;  Peng, Yun;  Saravanan, Konda Mani;  Bian, Hengwei;  Zhang, John Z. H.;  Wei, Yanjie;  Pan, Yi;  Yang, Yang
收藏  |  浏览/下载：24/0  |  提交时间：2022/12/07
antiviral agent  RdRp  compound specificity estimation  virtual screening  tubeimoside III  
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：22/0  |  提交时间：2022/12/07
deep learning  compound-protein interactions  compound properties  protein preperties  IC50 value  
Bioinformatics Screening of Potential Biomarkers from mRNA Expression Profiles to Discover Drug Targets and Agents for Cervical Cancer 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022, 卷号: 23, 期号: 7, 页码: 21
作者:  Reza, Md Selim;  Harun-Or-Roshid, Md;  Islam, Md Ariful;  Hossen, Md Alim;  Hossain, Md Tofazzal;  Feng, Shengzhong;  Xi, Wenhui;  Mollah, Md Nurul Haque;  Wei, Yanjie
收藏  |  浏览/下载：20/0  |  提交时间：2022/12/07
cervical cancer  mRNA expression profiles  key genes  candidate drugs  integrated bioinformatics analysis  
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