Variational transition state theory: theoretical framework and recent developments

JL Bao, DG Truhlar - Chemical Society Reviews, 2017 - pubs.rsc.org
This article reviews the fundamentals of variational transition state theory (VTST), its recent
theoretical development, and some modern applications. The theoretical methods reviewed …

Hydrogen tunneling links protein dynamics to enzyme catalysis

JP Klinman, A Kohen - Annual review of biochemistry, 2013 - annualreviews.org
The relationship between protein dynamics and function is a subject of considerable
contemporary interest. Although protein motions are frequently observed during ligand …

At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?

SCL Kamerlin, A Warshel - Proteins: Structure, Function, and …, 2010 - Wiley Online Library
Enzymes play a key role in almost all biological processes, accelerating a variety of
metabolic reactions as well as controlling energy transduction, the transcription, and …

Perspective: Defining and quantifying the role of dynamics in enzyme catalysis

A Warshel, RP Bora - The Journal of chemical physics, 2016 - pubs.aip.org
Enzymes control chemical reactions that are key to life processes, and allow them to take
place on the time scale needed for synchronization between the relevant reaction cycles. In …

[图书][B] Isotope effects in chemistry and biology

A Kohen, HH Limbach - 2005 - taylorfrancis.com
The field of isotope effects has expanded exponentially in the last decade, and researchers
are finding isotopes increasingly useful in their studies. Bringing literature on the subject up …

The role of dynamics in enzyme activity

RM Daniel, RV Dunn, JL Finney… - Annual review of …, 2003 - annualreviews.org
▪ Abstract Although protein function is thought to depend on flexibility, precisely how the
dynamics of the molecule and its environment contribute to catalytic mechanisms is unclear …

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 …

Tunneling and dynamics in enzymatic hydride transfer

ZD Nagel, JP Klinman - Chemical reviews, 2006 - ACS Publications
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 …

Dynamical contributions to enzyme catalysis: critical tests of a popular hypothesis

MHM Olsson, WW Parson, A Warshel - Chemical Reviews, 2006 - ACS Publications
Enzymes play fundamental roles in almost all life processes. They accelerate a great variety
of metabolic reactions and they control signaling, energy transduction, and transcription and …

Challenges in enzyme mechanism and energetics

DA Kraut, KS Carroll, D Herschlag - Annual review of …, 2003 - annualreviews.org
▪ Abstract Since the discovery of enzymes as biological catalysts, study of their enormous
catalytic power and exquisite specificity has been central to biochemistry. Nevertheless …