Constructing and Validating High-Performance MIEC-SVM Models in Virtual Screening for Kinases: A Better Way for Actives Discovery

Por Sun, Huiyong, Pan, Peichen, Tian, Sheng, Xu, Lei, Kong, Xiaotian, Li, Youyong, Dan Li, Hou, Tingjun
Publicado no Sci Rep (2016)

Revealing the favorable dissociation pathway of type II kinase inhibitors via enhanced sampling simulations and two-end-state calculations

Por Sun, Huiyong, Tian, Sheng, Zhou, Shunye, Li, Youyong, Li, Dan, Xu, Lei, Shen, Mingyun, Pan, Peichen, Hou, Tingjun
Publicado no Sci Rep (2015)

In Silico Exploration for Novel Type-I Inhibitors of Tie-2/TEK: The Performance of Different Selection Strategy in Selecting Virtual Screening Candidates

Por Pan, Peichen, Sun, Huiyong, Liu, Hui, Li, Dan, Zhou, Wenfang, Kong, Xiaotian, Li, Youyong, Yu, Huidong, Hou, Tingjun
Publicado no Sci Rep (2016)

Comparative analyses of structural features and scaffold diversity for purchasable compound libraries

Por Shang, Jun, Sun, Huiyong, Liu, Hui, Chen, Fu, Tian, Sheng, Pan, Peichen, Li, Dan, Kong, Dexin, Hou, Tingjun
Publicado no J Cheminform (2017)

How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study

Por Kong, Xiaotian, Sun, Huiyong, Pan, Peichen, Li, Dan, Zhu, Feng, Chang, Shan, Xu, Lei, Li, Youyong, Hou, Tingjun
Publicado no Sci Rep (2017)

Discovery of Novel ROCK1 Inhibitors via Integrated Virtual Screening Strategy and Bioassays

Por Shen, Mingyun, Tian, Sheng, Pan, Peichen, Sun, Huiyong, Li, Dan, Li, Youyong, Zhou, Hefeng, Li, Chuwen, Lee, Simon Ming-Yuen, Hou, Tingjun
Publicado no Sci Rep (2015)

Discovery of a ROCK inhibitor, FPND, which prevents cerebral hemorrhage through maintaining vascular integrity by interference with VE-cadherin

Por Li, Shang, Ai, Nana, Shen, Mingyun, Dang, Yuanye, Chong, Cheong-Meng, Pan, Peichen, Kwan, Yiu Wa, Chan, Shun Wan, Leung, George Pak Heng, Hoi, Maggie Pui Man, Hou, Tingjun, Lee, Simon Ming-Yuen
Publicado no Cell Death Discov (2017)

Combating Drug-Resistant Mutants of Anaplastic Lymphoma Kinase with Potent and Selective Type-I(1/2) Inhibitors by Stabilizing Unique DFG-Shifted Loop Conformation

Por Pan, Peichen, Yu, Huidong, Liu, Qinglan, Kong, Xiaotian, Chen, Hu, Chen, Jiean, Liu, Qi, Li, Dan, Kang, Yu, Sun, Huiyong, Zhou, Wenfang, Tian, Sheng, Cui, Sunliang, Zhu, Feng, Li, Youyong, Huang, Yong, Hou, Tingjun
Publicado no ACS Cent Sci (2017)