Pyrazinamide drug resistance in RpsA mutant (∆438A) of Mycobacterium tuberculosis : Dynamics of essential motions and free‐energy landscape analysis

2018 ◽  
Vol 120 (5) ◽  
pp. 7386-7402 ◽  
Author(s):  
Aditi Singh ◽  
Pallavi Somvanshi ◽  
Abhinav Grover
Keyword(s):  
Drug Resistance ◽  
Free Energy ◽  
Mycobacterium Tuberculosis ◽  
Energy Landscape ◽  
Landscape Analysis ◽  
Free Energy Landscape

Conformational modifications induced by internal tandem duplications on the FLT3 kinase and juxtamembrane domains

2019 ◽  
Vol 21 (34) ◽  
pp. 18467-18476 ◽  
Author(s):  
Guido Todde ◽  
Ran Friedman
Keyword(s):  
Free Energy ◽  
Protein Kinase ◽  
Molecular Dynamic ◽  
Energy Landscape ◽  
Landscape Analysis ◽  
Free Energy Landscape ◽  
Molecular Dynamic Simulations ◽  
Dynamic Simulations ◽  
Tandem Duplications

FLT3 is a protein kinase that becomes aberrantly expressed in certain leukaemias. Insertions in the form of tandem duplications activate the protein and were studied by molecular dynamic simulations and free energy landscape analysis.

scholarly journals Free Energy Landscape Analysis System Based on Parallel Molecular Dynamics Simulation

2007 ◽  
Vol 3 ◽  
pp. 757-766
Author(s):  
Masakazu Sekijima ◽  
Jun Doi ◽  
Shinya Honda ◽  
Tamotsu Noguchi ◽  
Shigenori Shimizu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulation ◽  
Energy Landscape ◽  
Landscape Analysis ◽  
Dynamics Simulation ◽  
Free Energy Landscape ◽  
Parallel Molecular Dynamics ◽  
Analysis System

Free Energy Landscape Analysis of Mesoscopic Model for Finding DNA-Protein Binding Sites

2014 ◽  
pp. 81-85
Author(s):  
Rafael Tapia-Rojo ◽  
Juan José Mazo ◽  
Andrés González ◽  
M. Luisa Peleato ◽  
Maria F. Fillat ◽  
...  
Keyword(s):  
Free Energy ◽  
Protein Binding ◽  
Binding Sites ◽  
Energy Landscape ◽  
Landscape Analysis ◽  
Free Energy Landscape ◽  
Protein Binding Sites ◽  
Mesoscopic Model
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