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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  
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:23/0  |  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  
An Integrated Deep Learning and Molecular Dynamics Simulation-Based Screening Pipeline Identifies Inhibitors of a New Cancer Drug Target TIPE2 期刊论文
FRONTIERS IN PHARMACOLOGY, 2021, 卷号: 12, 页码: 13
作者:  Zhang, Haiping;  Li, Junxin;  Saravanan, Konda Mani;  Wu, Hao;  Wang, Zhichao;  Wu, Du;  Wei, Yanjie;  Lu, Zhen;  Chen, Youhai H.;  Wan, Xiaochun;  Pan, Yi
收藏  |  浏览/下载:30/0  |  提交时间:2022/06/21
TIPE2  UM-164  virtual screening  deep learning  molecular dynamics simulation  
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
Open-pFind Verified Four Missing Proteins from Multi-Tissues 期刊论文
JOURNAL OF PROTEOME RESEARCH, 2020, 卷号: 19, 期号: 12, 页码: 4808-4814
作者:  Wu, Shujia;  Sun, Jinshuai;  Wang, Xi;  Xu, Feng;  Chi, Hao;  Li, Yanchang;  Zhong, Bowen;  Xie, Yuping;  Yan, Zhonghua;  Chang, Lei;  Wang, Dongxue;  He, Fuchu;  Wu, Junzhu;  Zhang, Yao;  Xu, Ping
收藏  |  浏览/下载:39/0  |  提交时间:2021/12/01
Chromosome-Centric Human Proteome Project  missing proteins  open-pFind  multiple tissues  
A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro 期刊论文
PLOS COMPUTATIONAL BIOLOGY, 2020, 卷号: 16, 期号: 12, 页码: 20
作者:  Zhang, Haiping;  Yang, Yang;  Li, Junxin;  Wang, Min;  Saravanan, Konda Mani;  Wei, Jinli;  Ng, Justin Tze-Yang;  Hossain, Md Tofazzal;  Liu, Maoxuan;  Zhang, Huiling;  Ren, Xiaohu;  Pan, Yi;  Peng, Yin;  Shi, Yi;  Wan, Xiaochun;  Liu, Yingxia;  Wei, Yanjie
收藏  |  浏览/下载:39/0  |  提交时间:2021/12/01
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:52/0  |  提交时间:2020/12/10
Coronavirus  Deep learning  Drug screening  Homology modeling  3C-like protease