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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  
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：26/0  |  提交时间：2022/12/07
circMine: a comprehensive database to integrate, analyze and visualize human disease-related circRNA transcriptome 期刊论文
NUCLEIC ACIDS RESEARCH, 2022, 卷号: 50, 期号: D1, 页码: D83-D92
作者:  Zhang, Wenliang;  Liu, Yang;  Min, Zhuochao;  Liang, Guodong;  Mo, Jing;  Ju, Zhen;  Zeng, Binghui;  Guan, Wen;  Zhang, Yan;  Chen, Jianliang;  Zhang, Qianshen;  Li, Hanguang;  Zeng, Chunxia;  Wei, Yanjie;  Chan, Godfrey Chi-Fung
收藏  |  浏览/下载：26/0  |  提交时间：2022/12/07
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  
COMTOP: Protein Residue-Residue Contact Prediction through Mixed Integer Linear Optimization 期刊论文
MEMBRANES, 2021, 卷号: 11, 期号: 7, 页码: 21
作者:  Reza, Md Selim;  Zhang, Huiling;  Hossain, Md Tofazzal;  Jin, Langxi;  Feng, Shengzhong;  Wei, Yanjie
收藏  |  浏览/下载：43/0  |  提交时间：2021/12/01
protein residue-residue contact  contact prediction  mixed integer linear programming  machine learning  protein sequence  
CanImmunother: a manually curated database for identification of cancer immunotherapies associating with biomarkers, targets, and clinical effects 期刊论文
ONCOIMMUNOLOGY, 2021, 卷号: 10, 期号: 1, 页码: 12
作者:  Zhang, Wenliang;  Zeng, Binghui;  Lin, Huancai;  Guan, Wen;  Mo, Jing;  Wu, Song;  Wei, Yanjie;  Zhang, Qianshen;  Yu, Dongsheng;  Li, Weizhong;  Chan, Godfrey Chi-Fung
收藏  |  浏览/下载：44/0  |  提交时间：2021/12/01
Cancer immunotherapy  immune checkpoint  database  biomarker  tumor vaccine  
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