Targeted molecular dynamics simulation studies of binding and conformational changes in E. coli MurD

2007 ◽  
Vol 68 (1) ◽  
pp. 243-254 ◽  
Author(s):  
Andrej Perdih ◽  
Miha Kotnik ◽  
Milan Hodoscek ◽  
Tom Solmajer
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Conformational Changes ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
E Coli ◽  
Targeted Molecular Dynamics

Molecular dynamics simulation studies on structural and conformational changes in tyrosine-67 nitrated cytochromec

2012 ◽  
Vol 38 (6) ◽  
pp. 459-467 ◽  
Author(s):  
Sarkkarai Raja Singh ◽  
Subash Prakash ◽  
Gurusamy Muneeswaran ◽  
Seenivasan Rajesh ◽  
Kaliappan Muthukumar ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Conformational Changes ◽  
Dynamics Simulation ◽  
Simulation Studies

Synthesis of the tetrasaccharide repeating unit of the O-antigen of the Escherichia coli O69 strain and its conformational analysis

RSC Advances ◽  
2014 ◽  
Vol 4 (70) ◽  
pp. 37079-37084 ◽  
Author(s):  
Manas Jana ◽  
Rajiv Kumar Kar ◽  
Anirban Bhunia ◽  
Anup Kumar Misra
Keyword(s):  
Escherichia Coli ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Conformational Analysis ◽  
Dynamics Simulation ◽  
Two Dimensional ◽  
Simulation Studies ◽  
One Pot ◽  
E Coli ◽  
O Antigen

A tetrasaccharide corresponding to theO-antigen of theE. coliO69 strain has been synthesized using iterative glycosylations in one pot. The conformational analysis of the tetrasaccharide was carried out using two-dimensional ROESY spectroscopy and molecular dynamics simulation studies.

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