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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  
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:36/0  |  提交时间:2021/12/01
protein residue-residue contact  contact prediction  mixed integer linear programming  machine learning  protein sequence  
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:52/0  |  提交时间:2020/12/10
Coronavirus  Deep learning  Drug screening  Homology modeling  3C-like protease