Difference between revisions of "The Pu Research Group"

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dynamical motions that are encoded in their three dimensional structures.  
 
dynamical motions that are encoded in their three dimensional structures.  
 
Ongoing projects include computer simulations of ABC-transporters and  
 
Ongoing projects include computer simulations of ABC-transporters and  
DNA damages and development of combined quantum mechanical/molecular  
+
damaged DNAs and development of combined quantum mechanical/molecular  
 
mechanical (QM/MM) methods.  
 
mechanical (QM/MM) methods.  
  

Revision as of 13:54, 13 July 2012

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Our interests lie at the interface between theoretical/computational chemistry and biophysics. The current research in the lab is directed towards understanding how biomolecules perform their functions via dynamical motions that are encoded in their three dimensional structures. Ongoing projects include computer simulations of ABC-transporters and damaged DNAs and development of combined quantum mechanical/molecular mechanical (QM/MM) methods.

Maltose transporter from E. coli SP lesion in DNA QM/MM