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：2022

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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
	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：13/0  |  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：13/0  |  提交时间：2023/07/12 machine learning  deep learning  molecular drug  activity prediction
	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
	COVID19db: a comprehensive database platform to discover potential drugs and targets of COVID-19 at whole transcriptomic scale 期刊论文 NUCLEIC ACIDS RESEARCH, 2022, 卷号: 50, 期号: D1, 页码: D747-D757 作者:  Zhang, Wenliang;  Zhang, Yan;  Min, Zhuochao;  Mo, Jing;  Ju, Zhen;  Guan, Wen;  Zeng, Binghui;  Liu, Yang;  Chen, Jianliang;  Zhang, Qianshen;  Li, Hanguang;  Zeng, Chunxia;  Wei, Yanjie;  Chan, Godfrey Chi-Fung 收藏  |  浏览/下载：19/0  |  提交时间：2022/12/07