Role of dynamics in enzyme catalysis: substantial versus semantic controversies

A Kohen - Accounts of chemical research, 2015 - ACS Publications
Conspectus The role of the enzyme's dynamic motions in catalysis is at the center of heated
contemporary debates among both theoreticians and experimentalists. Resolving these …

Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions

J Pu, J Gao, DG Truhlar - Chemical reviews, 2006 - ACS Publications
Although many aspects of enzyme catalysis have been constructively analyzed, 1-52 there
are still many aspects that are imperfectly understood. Of particular interest in this regard are …

Atomic description of an enzyme reaction dominated by proton tunneling

L Masgrau, A Roujeinikova, LO Johannissen, P Hothi… - Science, 2006 - science.org
We present an atomic-level description of the reaction chemistry of an enzyme-catalyzed
reaction dominated by proton tunneling. By solving structures of reaction intermediates at …

[HTML][HTML] Update 1 of: Tunneling and dynamics in enzymatic hydride transfer

ZD Nagel, JP Klinman - Chemical reviews, 2010 - ncbi.nlm.nih.gov
Enzymes continue to be the subject of intensive research efforts because of their ability to
accelerate chemical reactions by factors as large as 1020 with extraordinary selectivity. 1 …

Small Temperature Dependence of the Kinetic Isotope Effect for the Hydride Transfer Reaction Catalyzed by Escherichia coli Dihydrofolate Reductase

J Pu, S Ma, J Gao, DG Truhlar - The Journal of Physical Chemistry …, 2005 - ACS Publications
The H/D primary kinetic isotope effect (KIE) for the hydride transfer reaction catalyzed by
Escherichia coli dihydrofolate reductase (ec DHFR) is calculated as a function of …

Protein dynamics and enzyme catalysis: insights from simulations

JD McGeagh, KE Ranaghan, AJ Mulholland - Biochimica et Biophysica …, 2011 - Elsevier
The role of protein dynamics in enzyme catalysis is one of the most active and controversial
areas in enzymology today. Some researchers claim that protein dynamics are at the heart …

Structural bases of hydrogen tunneling in enzymes: progress and puzzles

ZX Liang, JP Klinman - Current opinion in structural biology, 2004 - Elsevier
Accumulating experimental evidence suggests that the occurrence of hydrogen tunneling is
likely to be widespread in enzyme-catalyzed reactions. The realization that hydrogen can …

Hydrogen donor–acceptor fluctuations from kinetic isotope effects: A phenomenological model

D Roston, CM Cheatum, A Kohen - Biochemistry, 2012 - ACS Publications
Kinetic isotope effects (KIEs) and their temperature dependence can probe the structural
and dynamic nature of enzyme-catalyzed proton or hydride transfers. The molecular …

Chemical aspects of amine oxidation by flavoprotein enzymes

NS Scrutton - Natural product reports, 2004 - pubs.rsc.org
Covering: 1980–September 2004 The mechanism of amine oxidation by flavoprotein
enzymes is critically analysed through analysis of available experimental data. The review …

Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects

S Hay, MJ Sutcliffe, NS Scrutton - Proceedings of the …, 2007 - National Acad Sciences
Use of the pressure dependence of kinetic isotope effects, coupled with a study of their
temperature dependence, as a probe for promoting motions in enzymatic hydrogen …