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Artificial intelligence and computer-aided drug discovery: Methods development and application 期刊论文
METHODS, 2024, 卷号: 231, 页码: 55-56
作者:  Zhang, Haiping;  Wei, Yanjie;  Saravanan, Konda Mani
收藏  |  浏览/下载：1/0  |  提交时间：2024/12/06
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  
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：33/0  |  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：33/0  |  提交时间：2022/12/07
extremely large-scale virtual screening  deep learning  DFCNN  Trypsin I Protease  de novo drug screening  
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：38/0  |  提交时间：2022/06/21
TIPE2  UM-164  virtual screening  deep learning  molecular dynamics simulation  
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：48/0  |  提交时间：2021/12/01
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  
Natural Potent NAAA Inhibitor Atractylodin Counteracts LPS-Induced Microglial Activation 期刊论文
FRONTIERS IN PHARMACOLOGY, 2020, 卷号: 11, 页码: 9
作者:  Yang, Longhe;  Ji, Chunyan;  Li, Yitian;  Hu, Fan;  Zhang, Fang;  Zhang, Haiping;  Li, Long;  Ren, Jie;  Wang, Zhaokai;  Qiu, Yan
收藏  |  浏览/下载：61/0  |  提交时间：2020/12/10
NAAA inhibitor  atractylodin  >  anti-inflammation  microglia  traditional Chinese medicine  
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  
无权访问的条目 学位论文
作者:  张海平
Adobe PDF(950Kb)  |  收藏  |  浏览/下载：0/0  |  提交时间：2014/07/08