中国科学院计算技术研究所机构知识库

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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：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