Impact of Mutation on the Structural Stability and the Conformational Landscape of Inhibitor-Resistant TEM β-Lactamase: A High-Performance Molecular Dynamics Simulation Study

2021 ◽  
Vol 125 (40) ◽  
pp. 11188-11196
Author(s):  
Sandip K. Mukherjee ◽  
Mandira Mukherjee ◽  
Padmaja P. Mishra
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Stability ◽  
Simulation Study ◽  
High Performance ◽  
Dynamics Simulation ◽  
Conformational Landscape

Structural stability and aggregation behavior of the VEALYL peptide derived from human insulin: A molecular dynamics simulation study

Biopolymers ◽  
2009 ◽  
Vol 94 (3) ◽  
pp. 269-278 ◽  
Author(s):  
Yeh-Fon Lin ◽  
Jian-Hua Zhao ◽  
Hsuan-Liang Liu ◽  
Kung-Tien Liu ◽  
Jenn-Tzong Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Stability ◽  
Human Insulin ◽  
Simulation Study ◽  
Aggregation Behavior ◽  
Dynamics Simulation
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