中国科学院计算技术研究所机构知识库

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发表日期：2021

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	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
	CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction 期刊论文 BIOMOLECULES, 2021, 卷号: 11, 期号: 5, 页码: 9 作者:  Wang, Xun;  Liu, Dayan;  Zhu, Jinfu;  Rodriguez-Paton, Alfonso;  Song, Tao 收藏  |  浏览/下载：27/0  |  提交时间：2021/12/01 protein-ligand binding affinity  2-D structural CNN  spatial attention mechanism
	HERB: a high-throughput experiment- and reference-guided database of traditional Chinese medicine 期刊论文 NUCLEIC ACIDS RESEARCH, 2021, 卷号: 49, 期号: D1, 页码: D1197-D1206 作者:  Fang, ShuangSang;  Dong, Lei;  Liu, Liu;  Guo, JinCheng;  Zhao, LianHe;  Zhang, JiaYuan;  Bu, DeChao;  Liu, XinKui;  Huo, PeiPei;  Cao, WanChen;  Dong, QiongYe;  Wu, JiaRui;  Zeng, Xiaoxi;  Wu, Yang;  Zhao, Yi 收藏  |  浏览/下载：40/0  |  提交时间：2021/12/01
	FangNet: Mining herb hidden knowledge from TCM clinical effective formulas using structure network algorithm 期刊论文 COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2021, 卷号: 19, 页码: 62-71 作者:  Bu, Dechao;  Xia, Yan;  Zhang, JiaYuan;  Cao, Wanchen;  Huo, Peipei;  Wang, Zhihao;  He, Zihao;  Ding, Linyi;  Wu, Yang;  Zhang, Shan;  Gao, Kai;  Yu, He;  Liu, Tiegang;  Ding, Xia;  Gu, Xiaohong;  Zhao, Yi 收藏  |  浏览/下载：37/0  |  提交时间：2021/12/01 Formulas  Herb  Symptom  TCM