Regular Article

Theoretical Chemistry Accounts

, 131:1286

First online:

Enzyme dynamics and catalysis in the mechanism of DNA polymerase

  • Adrian J. MulhollandAffiliated withCentre for Computational Chemistry, School of Chemistry, University of Bristol Email author 
  • , Adrian E. RoitbergAffiliated withDepartment of Chemistry and Quantum Theory Project, University of Florida Email author 
  • , Iñaki TuñónAffiliated withDepartamento de Química Física, Universidad de Valencia Email author 

Rent the article at a discount

Rent now

* Final gross prices may vary according to local VAT.

Get Access


This contribution contains the commentaries of the three authors about two papers in this issue of TCA that present alternative views of the role of conformational changes in the specificity of enzyme DNA polymerase β. Concepts such as dynamical effects, the induced fit model or the importance of sampling in modeling of enzymatic reactions are briefly revised within the context of the debate established in the two previous papers.


Enzyme dynamics Enzymatic catalysis Dynamical effects DNA polymerase