Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory
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Elsevier
Reference109 articles.
1. Canonical variational theory for enzyme kinetics with the protein mean force and multidimensional quantum mechanical tunneling dynamics. Theory and application to liver alcohol dehydrogenase;Alhambra;The Journal of Physical Chemistry. B,2001
2. The principle of nonperfect synchronization: More than a qualitative concept?;Bernasconi;Accounts of Chemical Research,1992
3. A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis;Bhabha;Science,2011
4. Statistical mechanics of isotopic systems with small quantum corrections. I. General considerations and the rule of the geometric mean.;Bigeleisen;The Journal of Chemical Physics,1955
5. The dynamic energy landscape of dihydrofolate reductase catalysis;Boehr;Science,2006
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