scholarly journals Molecular Mechanism of Allosteric Communication in Hsp70 Revealed by Molecular Dynamics Simulations

2012 ◽  
Vol 8 (12) ◽  
pp. e1002844 ◽  
Author(s):  
Federica Chiappori ◽  
Ivan Merelli ◽  
Giorgio Colombo ◽  
Luciano Milanesi ◽  
Giulia Morra
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Mechanism ◽  
Allosteric Communication ◽  
Dynamics Simulations

scholarly journals Molecular Mechanism of Allosteric Communication in Hsp70 Revealed by Molecular Dynamics Simulations

2013 ◽  
Vol 104 (2) ◽  
pp. 571a
Author(s):  
Federica Chiappori ◽  
Ivan Merelli ◽  
Giorgio Colombo ◽  
Luciano Milanesi ◽  
Giulia Morra
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Mechanism ◽  
Allosteric Communication ◽  
Dynamics Simulations

Molecular mechanism with regard to the binding selectivity of inhibitors toward FABP5 and FABP7 explored by multiple short molecular dynamics simulations and free energy analyses

2020 ◽  
Vol 22 (4) ◽  
pp. 2262-2275 ◽  
Author(s):  
Jianzhong Chen ◽  
Xinguo Liu ◽  
Shaolong Zhang ◽  
Junxiao Chen ◽  
Haibo Sun ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Fatty Acid ◽  
Molecular Dynamics Simulations ◽  
Molecular Mechanism ◽  
Binding Proteins ◽  
Fatty Acid Binding Proteins ◽  
Binding Selectivity ◽  
Fatty Acid Binding ◽  
Dynamics Simulations

Recently, fatty acid binding proteins 5 and 7 (FABP5 and FABP7) have been regarded as the prospective targets for clinically treating multiple diseases related to FABPs.

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