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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：10/0  |  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：21/0  |  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：21/0  |  提交时间：2023/07/12
gastric cancer  hub genes  candidate genes  molecular docking  candidate drugs  
Circ_CEA promotes the interaction between the p53 and cyclin-dependent kinases 1 as a scaffold to inhibit the apoptosis of gastric cancer 期刊论文
CELL DEATH & DISEASE, 2022, 卷号: 13, 期号: 9, 页码: 15
作者:  Yuan, Yuan;  Zhang, Xiaojing;  Du, Kaining;  Zhu, Xiaohui;  Chang, Shanshan;  Chen, Yang;  Xu, Yidan;  Sun, Jiachun;  Luo, Xiaonuan;  Deng, Shiqi;  Qin, Ying;  Feng, Xianling;  Wei, Yanjie;  Fan, Xinmin;  Liu, Ziyang;  Zheng, Baixin;  Ashktorab, Hassan;  Smoot, Duane;  Li, Song;  Xie, Xiaoxun;  Jin, Zhe;  Peng, Yin
收藏  |  浏览/下载：19/0  |  提交时间：2023/07/12
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：19/0  |  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：17/0  |  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：17/0  |  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：29/0  |  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：28/0  |  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：28/0  |  提交时间：2022/12/07
deep learning  compound-protein interactions  compound properties  protein preperties  IC50 value