Citation Impact
Citing Papers
On the relationship between folding and chemical landscapes in enzyme catalysis
2008 StandoutNobel
Anti-Markovnikov alkene oxidation by metal-oxo–mediated enzyme catalysis
2017 StandoutScienceNobel
Relating Protein Motion to Catalysis
2006
SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase
2019 StandoutNobel
Origins of catalysis by computationally designed retroaldolase enzymes
2010 StandoutNobel
How directed evolution reshapes the energy landscape in an enzyme to boost catalysis
2020 Science
Computational Thermostabilization of an Enzyme
2005 StandoutScienceNobel
Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions
2011 StandoutNobel
Diversity oriented clicking delivers β-substituted alkenyl sulfonyl fluorides as covalent human neutrophil elastase inhibitors
2022 StandoutNobel
Structure⧸Function Correlations of Proteins using MM, QM⧸MM, and Related Approaches: Methods, Concepts, Pitfalls, and Current Progress
2003 StandoutNobel
Comparison of Hydride, Hydrogen Atom, and Proton-Coupled Electron Transfer Reactions
2002
Allosteric Communication in Dihydrofolate Reductase: Signaling Network and Pathways for Closed to Occluded Transition and Back
2007
The development of mechanistic enzymology in the 20th century
2001
Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issues
2010 StandoutNobel
QM/MM Methods for Biomolecular Systems
2009 Standout
Computer Simulation of Primary Kinetic Isotope Effects in the Proposed Rate-limiting Step of the Glyoxalase I Catalyzed Reaction
2000
Nuclear Quantum Tunneling in the Light-activated Enzyme Protochlorophyllide Oxidoreductase
2008
Dynamic activation of protein function: a view emerging from NMR spectroscopy.
2001
Choreographing an enzyme's dance
2010
Combinatorial and computational challenges for biocatalyst design
2001 StandoutNatureNobel
A PM3/d specific reaction parameterization for iron atom in the hydrogen abstraction catalyzed by soybean lipoxygenase‐1
2007
Protein dynamics and enzyme catalysis: Insights from simulations
2010
The road to fully programmable protein catalysis
2022 StandoutNatureNobel
The enzymes of sialic acid biosynthesis
2005
Thermodynamics and kinetics of proton-coupled electron transfer: stepwise vs. concerted pathways
2004
An analysis of all the relevant facts and arguments indicates that enzyme catalysis does not involve large contributions from nuclear tunneling
2010 StandoutNobel
Laboratory Evolution of Stereoselective Enzymes: A Prolific Source of Catalysts for Asymmetric Reactions
2010
An integrated model for enzyme catalysis emerges from studies of hydrogen tunneling
2009
Ever-fluctuating single enzyme molecules: Michaelis-Menten equation revisited
2005
The EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactions
2009 StandoutNobel
Ultrafast catalytic processes in enzymes
2007
Metal-free organocatalysis through explicit hydrogen bonding interactions
2003
Environmentally coupled hydrogen tunneling
2002
Barrier Compression and Its Contribution to Both Classical and Quantum Mechanical Aspects of Enzyme Catalysis
2010
Temperature adaptation of enzymes: Lessons from laboratory evolution
2001 StandoutNobel
Engineering an efficient and enantioselective enzyme for the Morita–Baylis–Hillman reaction
2021 StandoutNobel
Suppression of inflammation by a synthetic histone mimic
2010 StandoutNatureNobel
Heavy-Atom Skeleton Quantization and Proton Tunneling in “Intermediate-Barrier” Hydrogen Bonds
2001
The mechanism of the proton transfer: an outline
2000
Dynamics and mechanism of repair of ultraviolet-induced (6–4) photoproduct by photolyase
2010 StandoutNatureNobel
Analysis of Classical and Quantum Paths for Deprotonation of Methylamine by Methylamine Dehydrogenase
2007
Hyperthermophilic Enzymes: Sources, Uses, and Molecular Mechanisms for Thermostability
2001 Standout
Modelling enzyme reaction mechanisms, specificity and catalysis
2005
Dynamics of biochemical and biophysical reactions: insight from computer simulations
2001 StandoutNobel
New insights into enzyme catalysis
1999
Simulating enzyme reactions: Challenges and perspectives
2001
At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?
2009 StandoutNobel
Binding Affinities of Host–Guest, Protein–Ligand, and Protein–Transition‐State Complexes
2003
Proton transport of water in acid–base reactions of 7-hydroxyquinoline
2009
Femtochemistry in enzyme catalysis: DNA photolyase
2007 StandoutNobel
Bis(μ-oxo)dimetal “Diamond” Cores in Copper and Iron Complexes Relevant to Biocatalysis
2002
Separating water isotopologues using diffusion-regulatory porous materials
2022 StandoutNatureNobel
Structural bases of hydrogen tunneling in enzymes: progress and puzzles
2004
Implementation of the bisection sampling method in path integral simulations
2005
Solvent Dependence of the Kinetic Isotope Effect in the Reaction of Ascorbate with the 2,2,6,6-Tetramethylpiperidine-1-oxyl Radical: Tunnelling in a Small Molecule Reaction
2010
Quantitative exploration of the molecular origin of the activation of GTPase
2013 StandoutNobel
Water-Splitting Chemistry of Photosystem II
2006
Reply to Karplus: Conformational dynamics have no role in the chemical step
2010 StandoutNobel
Computational and Theoretical Methods to Explore the Relation between Enzyme Dynamics and Catalysis
2006
Evidence for Environmentally Coupled Hydrogen Tunneling during Dihydrofolate Reductase Catalysis
2003
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
On the Relationship between Thermal Stability and Catalytic Power of Enzymes
2007 StandoutNobel
Enzymatic H-Transfer Requires Vibration-Driven Extreme Tunneling
1999
Converting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome
2011 StandoutNobel
Proton and hydrogen atom tunnelling in hydrolytic and redox enzyme catalysis
1999
Comment on “Effect of Active Site Mutation Phe93 → Trp in the Horse Liver Alcohol Dehydrogenase Enzyme on Catalysis: A Molecular Dynamics Study”
2003 StandoutNobel
Evidence To Support the Hypothesis That Promoting Vibrations Enhance the Rate of an Enzyme Catalyzed H-Tunneling Reaction
2009
The ONIOM Method and Its Applications
2015
Energetics and Dynamics of Enzymatic Reactions
2001 StandoutNobel
What Is So Special about Arg 55 in the Catalysis of Cyclophilin A? Insights from Hybrid QM/MM Simulations
2003
Solute Solvent Dynamics and Energetics in Enzyme Catalysis: The SN2 Reaction of Dehalogenase as a General Benchmark
2004 StandoutNobel
A Hafnium-Based Metal–Organic Framework as a Nature-Inspired Tandem Reaction Catalyst
2015 StandoutNobel
Enzyme Dynamics and Tunneling Enhanced by Compression in the Hydrogen Abstraction Catalyzed by Soybean Lipoxygenase-1
2006
Linkage between dynamics and catalysis in a thermophilic-mesophilic enzyme pair
2004
Ketosteroid isomerase provides further support for the idea that enzymes work by electrostatic preorganization
2010 StandoutNobel
A new paradigm for electrostatic catalysis of radical reactions in vitamin B 12 enzymes
2007 StandoutNobel
Multidimensional Tunneling, Recrossing, and the Transmission Coefficient for Enzymatic Reactions
2006
A 21st century revisionist's view at a turning point in enzymology
2009
Donor−Acceptor Distance and Protein Promoting Vibration Coupling to Hydride Transfer: A Possible Mechanism for Kinetic Control in Isozymes of Human Lactate Dehydrogenase
2003
Temperature-Dependent Isotope Effects in Soybean Lipoxygenase-1: Correlating Hydrogen Tunneling with Protein Dynamics
2002
Electric Fields and Enzyme Catalysis
2017
Free-Energy Landscape of Enzyme Catalysis
2008
Ultrafast solvation dynamics at binding and active sites of photolyases
2010 StandoutNobel
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
The First Experimental Test of the Hypothesis that Enzymes Have Evolved To Enhance Hydrogen Tunneling
2003
A link between protein structure and enzyme catalyzed hydrogen tunneling
1997
PCET in the oxidation of ascorbate. Dramatic change of the kinetic isotope effect on the change in solvent polarity
2007
Targeted metabolic labeling of yeast N-glycans with unnatural sugars
2010 StandoutNobel
Hydrogen Atom Transfer Reactions of a Ruthenium Imidazole Complex: Hydrogen Tunneling and the Applicability of the Marcus Cross Relation
2008
Computational Studies of the Mechanism for Proton and Hydride Transfer in Liver Alcohol Dehydrogenase
2000
By chance, or by design?
2004 Nature
Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes
2003
Characterization of Solvent and Deuterium Isotope Effects on Nonadiabatic Proton Transfer in the Benzophenone/N,N-Dimethylaniline Contact Radical Ion Pair
2004
Hydride Transfer Reaction Catalyzed by Hyperthermophilic Dihydrofolate Reductase Is Dominated by Quantum Mechanical Tunneling and Is Promoted by Both Inter- and Intramonomeric Correlated Motions
2006
Promoting Modes and Demoting Modes in Enzyme-Catalyzed Proton Transfer Reactions: A Study of Models and Realistic Systems
2002
Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects
2007
A Theory that Connects Proton-Coupled Electron-Transfer and Hydrogen-Atom Transfer Reactions
2002
Hydride, Hydrogen Atom, Proton, and Electron Transfer Driving Forces of Various Five-Membered Heterocyclic Organic Hydrides and Their Reaction Intermediates in Acetonitrile
2008
Challenges in Enzyme Mechanism and Energetics
2003
Driving Force and Isotope Dependence of the Kinetics of Proton-Coupled Electron Transfer in Oxoruthenium(IV) Polypyridyl Complexes
1999
Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins
2001
Colossal kinetic isotope effects in proton-coupled electron transfer
2004
Origin of the Temperature Dependence of Isotope Effects in Enzymatic Reactions: The Case of Dihydrofolate Reductase
2007 StandoutNobel
Role of Protein Dynamics in Reaction Rate Enhancement by Enzymes
2005
Equilibrium Isotope Effects on Noncovalent Interactions in a Supramolecular Host–Guest System
2011
Perspective: Defining and quantifying the role of dynamics in enzyme catalysis
2016 Nobel
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
Fluctuating Enzymes: Lessons from Single-Molecule Studies
2005
Networks of electrostatic and hydrophobic interactions modulate the complex folding free energy surface of a designed βα protein
2019 StandoutNobel
New directions in single-molecule imaging and analysis
2007 StandoutNobel
Chemomimetic Biocatalysis: Exploiting the Synthetic Potential of Cofactor-Dependent Enzymes To Create New Catalysts
2015 StandoutNobel
Tunneling and Classical Paths for Proton Transfer in an Enzyme Reaction Dominated by Tunneling: Oxidation of Tryptamine by Aromatic Amine Dehydrogenase
2007
Proton-coupled electron transfer: the mechanistic underpinning for radical transport and catalysis in biology
2006
Simulation of Tunneling in Enzyme Catalysis by Combining a Biased Propagation Approach and the Quantum Classical Path Method: Application to Lipoxygenase
2007 StandoutNobel
The Kinetic Effect of Internal Hydrogen Bonds on Proton-Coupled Electron Transfer from Phenols: A Theoretical Analysis with Modeling of Experimental Data
2009
Bioinspired Metal–Organic Framework Catalysts for Selective Methane Oxidation to Methanol
2018 StandoutNobel
A cell protection screen reveals potent inhibitors of multiple stages of the hepatitis C virus life cycle
2010 StandoutNobel
Organocatalytic Asymmetric Transferhydrogenation of β-Nitroacrylates: Accessing β2-Amino Acids
2008 StandoutNobel
Enzyme catalysis: over-the-barrier or through-the-barrier?
2000
Redox cycling and kinetic analysis of single molecules of solution-phase nitrite reductase
2011 StandoutNobel
The Role of Dynamics in Enzyme Activity
2003
Proton-Coupled Electron Transfer versus Hydrogen Atom Transfer in Benzyl/Toluene, Methoxyl/Methanol, and Phenoxyl/Phenol Self-Exchange Reactions
2002
Enzyme millisecond conformational dynamics do not catalyze the chemical step
2009 StandoutNobel
Identification of Transcription Complexes that Contain the Double Bromodomain Protein Brd2 and Chromatin Remodeling Machines
2006
Proton-Coupled Electron Transfer
2007
PROTON-COUPLED ELECTRON TRANSFER: A Reaction Chemist's View
2004
Mechanisms and Free Energies of Enzymatic Reactions
2006
Ultrafast Dynamics and Anionic Active States of the Flavin Cofactor in Cryptochrome and Photolyase
2008 StandoutNobel
Dynamics and mechanism of cyclobutane pyrimidine dimer repair by DNA photolyase
2011 StandoutNobel
Atomic Description of an Enzyme Reaction Dominated by Proton Tunneling
2006 Science
Coupling of protein motions and hydrogen transfer during catalysis byEscherichia colidihydrofolate reductase
2006
Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems
2006 StandoutNobel
Network of coupled promoting motions in enzyme catalysis
2002
Synthesis of bioactive protein hydrogels by genetically encoded SpyTag-SpyCatcher chemistry
2014 StandoutNobel
Enzymology takes a quantum leap forward
2000
A Theoretical Analysis of the Proton and Hydride Transfer in Liver Alcohol Dehydrogenase (LADH)
2002
Frozen Density Functional Free Energy Simulations of Redox Proteins: Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin
2003 StandoutNobel
The Tail Wagging the Dog: Insights into Catalysis in R67 Dihydrofolate Reductase
2010
Proton-Coupled Electron Transfer
2012 Standout
Identification of a Slow Tight-Binding Inhibitor of 3-Deoxy-d -manno-octulosonic Acid 8-Phosphate Synthase
2000
Nuclear quantum effects on an enzyme-catalyzed reaction with reaction path potential: Proton transfer in triosephosphate isomerase
2006
A Computational Method to Identify Residues Important in Creating a Protein Promoting Vibration in Enzymes
2002
Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase
2010 StandoutNobel
In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co 2+
2008 StandoutScience
Quantum Mechanics/Molecular Mechanics Studies of Triosephosphate Isomerase-Catalyzed Reactions: Effect of Geometry and Tunneling on Proton-Transfer Rate Constants
2002
Hydride transfer during catalysis by dihydrofolate reductase from Thermotoga maritima
2003
Works of Amnon Kohen being referenced
Hydrogen tunneling in biology
1999
Enzyme dynamics and hydrogen tunnelling in a thermophilic alcohol dehydrogenase
1999 Nature
Catalytic Mechanism of Kdo8P Synthase: Transient Kinetic Studies and Evaluation of a Putative Reaction Intermediate
1998
The Effect of Electrostatic Shielding on H Tunneling in R67 Dihydrofolate Reductase
2009
Catalytic mechanism of 3‐deoxy‐d ‐manno‐2‐octulosonate‐8‐phosphate synthase
1993
Tuning of the H‐Transfer Coordinate in Primitive versus Well‐Evolved Enzymes
2008
Kinetic Isotope Effects as Probes for Hydrogen Tunneling, Coupled Motion and Dynamics Contributions to Enzyme Catalysis
2003
Hydrogen Tunneling Links Protein Dynamics to Enzyme Catalysis
2013
A Quantum Mechanics/Molecular Mechanics Study of the Catalytic Mechanism of the Thymidylate Synthase
2007
Tunneling and Coupled Motion in the Escherichia coli Dihydrofolate Reductase Catalysis
2004
The role of enzyme dynamics and tunnelling in catalysing hydride transfer: studies of distal mutants of dihydrofolate reductase
2006
Effects of a Distal Mutation on Active Site Chemistry
2006
Convex Arrhenius plots and their interpretation
2001
Nonperfect Synchronization of Reaction Center Rehybridization in the Transition State of the Hydride Transfer Catalyzed by Dihydrofolate Reductase
2005
Boundary Conditions for the Swain−Schaad Relationship as a Criterion for Hydrogen Tunneling
2002
Role of Dynamics in Enzyme Catalysis: Substantial versus Semantic Controversies
2014
Vibrationally Enhanced Hydrogen Tunneling in the Escherichia coli Thymidylate Synthase Catalyzed Reaction
2004
Coordinated effects of distal mutations on environmentally coupled tunneling in dihydrofolate reductase
2006
Enzyme Catalysis: Beyond Classical Paradigms
1998
Hybrid Quantum and Classical Simulations of the Dihydrofolate Reductase Catalyzed Hydride Transfer Reaction on an Accurate Semi-Empirical Potential Energy Surface
2011
Effects of Protein Glycosylation on Catalysis: Changes in Hydrogen Tunneling and Enthalpy of Activation in the Glucose Oxidase Reaction
1997
Protein Flexibility Correlates with Degree of Hydrogen Tunneling in Thermophilic and Mesophilic Alcohol Dehydrogenases
2000
Enzymatic H Transfers: Quantum Tunneling and Coupled Motion from Kinetic Isotope Effect Studies
2009
Arrhenius curves of hydrogen transfers: tunnel effects, isotope effects and effects of pre-equilibria
2006
Network of Remote and Local Protein Dynamics in Dihydrofolate Reductase Catalysis
2015
Hydride Transfer versus Hydrogen Radical Transfer in Thymidylate Synthase
2006
Concerted versus Stepwise Mechanism in Thymidylate Synthase
2014
Effects of Protein Glycosylation on Catalysis: Changes in Hydrogen Tunneling and Enthalpy of Activation in the Glucose Oxidase Reaction
1997