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Pure Appl. Chem., 2003, Vol. 75, No. 5, pp. 601-608

http://dx.doi.org/10.1351/pac200375050601

Dynamic barriers and tunneling. New views of hydrogen transfer in enzyme reactions

J. P. Klinman

Department of Chemistry and Department of Molecular and Cell Biology, University of California, Berkeley, CA 94720, USA

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  • Cao ChaoTun, Tan Yue, Zhu Xiao-Qing: Heterolytic and homolytic C-D bond dissociation energies of NADH models in acetonitrile and primary isotopic effects on hydride versus hydrogen atom transfer reactions. Sci. China Chem. 2012, 55, 2054. <http://dx.doi.org/10.1007/s11426-012-4679-6>
  • Phatak Prasad, Sumner Isaiah, Iyengar Srinivasan S.: Gauging the Flexibility of the Active Site in Soybean Lipoxygenase-1 (SLO-1) through an Atom-Centered Density Matrix Propagation (ADMP) Treatment That Facilitates the Sampling of Rare Events. J. Phys. Chem. B 2012, 116, 10145. <http://dx.doi.org/10.1021/jp3015047>
  • Tang Shouyuan, Majerz Irena, Caminati Walther: Sizing the Ubbelohde effect: the rotational spectrum of a tert-butylalcohol dimer. Phys Chem Chem Phys 2011, 13, 9137. <http://dx.doi.org/10.1039/c1cp20210c>
  • Ranaghan Kara E., Mulholland Adrian J.: Computer simulations of quantum tunnelling in enzyme-catalysed hydrogen transfer reactions. Interdiscip Sci Comput Life Sci 2010, 2, 78. <http://dx.doi.org/10.1007/s12539-010-0093-y>
  • Pflaumer Adam R., Bryant Emmanuel A., Messina Michael: Vibrational enhancement of H atom transfer near an enzyme active site: An inverse classical control study. Chemical Phys 2008, 353, 119. <http://dx.doi.org/10.1016/j.chemphys.2008.08.006>
  • Sumner Isaiah, Iyengar Srinivasan S.: Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory. J Chem Phys 2008, 129, 054109. <http://dx.doi.org/10.1063/1.2956496>
  • Shibl Mohamed F., Pietrzak Mariusz, Limbach Hans-Heinrich, Kühn Oliver: Geometric H/D Isotope Effects and Cooperativity of the Hydrogen Bonds in Porphycene. Chem Eur J of Chem Phys 2007, 8, 315. <http://dx.doi.org/10.1002/cphc.200600511>
  • Fitzpatrick Paul F.: Insights into the mechanisms of flavoprotein oxidases from kinetic isotope effects. J Labelled Cpd Radiopharm 2007, 50, 1016. <http://dx.doi.org/10.1002/jlcr.1400>
  • Vayenas C.G., Tsampas M.N., Katsaounis A.: First principles analytical prediction of the conductivity of Nafion membranes. Electrochimica Acta 2007, 52, 2244. <http://dx.doi.org/10.1016/j.electacta.2006.03.109>
  • Vayenas Costas G., Katsaounis Alexandros D.: Proton and electron wave-particles in chemical and physical environments. APPLIED CATALYSIS B 2006, 64, 111. <http://dx.doi.org/10.1016/j.apcatb.2005.10.022>
  • Wang Mingliang, Lu Zhenyu, Yang Weitao: Nuclear quantum effects on an enzyme-catalyzed reaction with reaction path potential: Proton transfer in triosephosphate isomerase. J Chem Phys 2006, 124, 124516. <http://dx.doi.org/10.1063/1.2181145>
  • Allemann R. K, Evans R. M, Tey L.-h., Maglia G., Pang J., Rodriguez R., Shrimpton P. J, Swanwick R. S: Protein motions during catalysis by dihydrofolate reductases. Phil Trans R Soc Lond B 2006, 361, 1317. <http://dx.doi.org/10.1098/rstb.2006.1865>
  • Nunez S., Tresadern G., Hillier I. H, Burton N. A: An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenase. Phil Trans R Soc Lond B 2006, 361, 1387. <http://dx.doi.org/10.1098/rstb.2006.1867>
  • Hammes-Schiffer S., Watney J. B: Hydride transfer catalysed by Escherichia coli and Bacillus subtilis dihydrofolate reductase: coupled motions and distal mutations. Phil Trans R Soc Lond B 2006, 361, 1365. <http://dx.doi.org/10.1098/rstb.2006.1869>
  • Wang L., Goodey N. M, Benkovic S. J, Kohen A.: The role of enzyme dynamics and tunnelling in catalysing hydride transfer: studies of distal mutants of dihydrofolate reductase. Phil Trans R Soc Lond B 2006, 361, 1307. <http://dx.doi.org/10.1098/rstb.2006.1871>
  • Giuliano Barbara M., Caminati Walther: Isotopomeric Conformational Change in Anisole-Water. Angew Chem 2005, 117, 609. <http://dx.doi.org/10.1002/ange.200461860>
  • Giuliano Barbara M., Caminati Walther: Isotopomeric Conformational Change in Anisole-Water. Angew Chem Int Ed 2005, 44, 603. <http://dx.doi.org/10.1002/anie.200461860>
  • Benoit Magali, Marx Dominik: The Shapes of Protons in Hydrogen Bonds Depend on the Bond Length. Chem Eur J of Chem Phys 2005, 6, 1738. <http://dx.doi.org/10.1002/cphc.200400533>