Theoretical Chemistry Accounts

, 131:1286

Enzyme dynamics and catalysis in the mechanism of DNA polymerase


    • Centre for Computational Chemistry, School of ChemistryUniversity of Bristol
    • Department of Chemistry and Quantum Theory ProjectUniversity of Florida
    • Departamento de Química FísicaUniversidad de Valencia
Regular Article

DOI: 10.1007/s00214-012-1286-8

Cite this article as:
Mulholland, A.J., Roitberg, A.E. & Tuñón, I. Theor Chem Acc (2012) 131: 1286. doi:10.1007/s00214-012-1286-8


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 dynamicsEnzymatic catalysisDynamical effectsDNA polymerase

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© Springer-Verlag Berlin Heidelberg 2012