Dynamic Mechanism of a Fluorinated Oxime Reactivator Unbinding from AChE Gorge in Polarizable Water

2018 ◽  
Vol 122 (14) ◽  
pp. 3876-3888 ◽  
Author(s):  
Arup K. Pathak ◽  
Tusar Bandyopadhyay
Keyword(s):  
Dynamic Mechanism ◽  
Oxime Reactivator

Exploring the dynamic mechanism of allosteric drug SHP099 inhibiting SHP2E69K

2021 ◽  
Author(s):  
Shan Du ◽  
Xin-hua Lu ◽  
Wei-Ya Li ◽  
Li-Peng Li ◽  
Yang-Chun Ma ◽  
...  
Keyword(s):  
Dynamic Mechanism

scholarly journals A Fault Identification Method in Distillation Process Based on Dynamic Mechanism Analysis and Signed Directed Graph

Processes ◽  
2021 ◽  
Vol 9 (2) ◽  
pp. 229
Author(s):  
Wende Tian ◽  
Shifa Zhang ◽  
Zhe Cui ◽  
Zijian Liu ◽  
Shaochen Wang ◽  
...  
Keyword(s):  
Directed Graph ◽  
Process Simulation ◽  
Expert Knowledge ◽  
Dynamic Mechanism ◽  
Fault Identification ◽  
Mechanism Analysis ◽  
Distillation Process ◽  
Complex Network Theory ◽  
Identification Method ◽  
Signed Directed Graph

Due to the complexity of materials and energy cycles, the distillation system has numerous working conditions difficult to troubleshoot in time. To address the problem, a novel DMA-SDG fault identification method that combines dynamic mechanism analysis based on process simulation and signed directed graph is proposed for the distillation process. Firstly, dynamic simulation is employed to build a mechanism model to provide the potential relationships between variables. Secondly, sensitivity analysis and dynamic mechanism analysis in process simulation are introduced to the SDG model to improve the completeness of this model based on expert knowledge. Finally, a quantitative analysis based on complex network theory is used to select the most important nodes in SDG model for identifying the severe malfunctions. The application of DMA-SDG method in a benzene-toluene-xylene (BTX) hydrogenation prefractionation system shows sound fault identification performance.

The dynamic mechanism of 4E-BP1 recognition and phosphorylation by mTORC1

2021 ◽  
Author(s):  
Raphael Böhm ◽  
Stefan Imseng ◽  
Roman P. Jakob ◽  
Michael N. Hall ◽  
Timm Maier ◽  
...  
Keyword(s):  
Dynamic Mechanism
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