Sam Hay
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Computer Science
Sam Hay 's Degrees
- PhD Computer Science Stanford University
- Masters Computer Science University of California, Berkeley
- Bachelors Computer Science University of California, Berkeley
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Why Is Sam Hay Influential?
(Suggest an Edit or Addition)According to Wikipedia, Sam Hay is a chemist from New Zealand and a Reader in the Department of Chemistry at The University of Manchester. His research in general is based on computational chemistry and theoretical chemistry, specifically on the areas of In silico Enzymology, quantum mechanics roles in biological processes, kinetic modelling of complex reactions and high pressure spectroscopy.
Sam Hay 's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Good vibrations in enzyme-catalysed reactions. (2012) (232)
- Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation (2014) (231)
- New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition (2015) (161)
- UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis (2015) (149)
- Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects (2007) (92)
- Fast protein motions are coupled to enzyme H-transfer reactions. (2013) (83)
- Direct analysis of donor-acceptor distance and relationship to isotope effects and the force constant for barrier compression in enzymatic H-tunneling reactions. (2010) (76)
- Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction. (2009) (70)
- Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase. (2008) (68)
- Alpha-secondary isotope effects as probes of "tunneling-ready" configurations in enzymatic H-tunneling: insight from environmentally coupled tunneling models. (2006) (64)
- Carboxylesterase converts Amplex red to resorufin: Implications for mitochondrial H2O2 release assays (2016) (62)
- Nature of the energy landscape for gated electron transfer in a dynamic redox protein. (2010) (58)
- Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis (2019) (56)
- Proton tunneling in aromatic amine dehydrogenase is driven by a short-range sub-picosecond promoting vibration: consistency of simulation and theory with experiment. (2007) (55)
- Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted? (2009) (53)
- Quantum Biology: An Update and Perspective (2021) (52)
- Barrier compression enhances an enzymatic hydrogen-transfer reaction. (2009) (50)
- Conformational and thermodynamic control of electron transfer in neuronal nitric oxide synthase. (2007) (50)
- Magnetic field effect studies indicate reduced geminate recombination of the radical pair in substrate-bound adenosylcobalamin-dependent ethanolamine ammonia lyase. (2007) (50)
- Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms. (2007) (47)
- Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host-Guest Complexes. (2017) (45)
- Inter‐flavin electron transfer in cytochrome P450 reductase – effects of solvent and pH identify hidden complexity in mechanism (2008) (42)
- Barrier compression and its contribution to both classical and quantum mechanical aspects of enzyme catalysis. (2010) (42)
- Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase (2017) (40)
- Demonstration of Proton-coupled Electron Transfer in the Copper-containing Nitrite Reductases* (2009) (40)
- Ultrafast infrared spectral fingerprints of vitamin B12 and related cobalamins. (2012) (39)
- Protein engineering of cytochrome b562 for quinone binding and light-induced electron transfer. (2004) (38)
- Incorporation of hydrostatic pressure into models of hydrogen tunneling highlights a role for pressure-modulated promoting vibrations. (2008) (37)
- Donor-Acceptor Distance Sampling Enhances the Performance of "Better than Nature" Nicotinamide Coenzyme Biomimetics. (2016) (36)
- A ‘Plug and Play’ Platform for the Production of Diverse Monoterpene Hydrocarbon Scaffolds in Escherichia coli (2016) (36)
- Dual transcriptional-translational cascade permits cellular level tuneable expression control (2015) (35)
- Gating mechanisms for biological electron transfer: Integrating structure with biophysics reveals the nature of redox control in cytochrome P450 reductase and copper‐dependent nitrite reductase (2012) (34)
- Electrochemical and structural properties of a protein system designed to generate tyrosine Pourbaix diagrams. (2011) (34)
- DNA Binding Suppresses Human AIF-M2 Activity and Provides a Connection between Redox Chemistry, Reactive Oxygen Species, and Apoptosis* (2007) (34)
- Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification* (2015) (33)
- Is there a dynamic protein contribution to the substrate trigger in coenzyme B12-dependent ethanolamine ammonia lyase? (2011) (32)
- Relating localized protein motions to the reaction coordinate in coenzyme B12‐dependent enzymes (2013) (29)
- Are environmentally coupled enzymatic hydrogen tunneling reactions influenced by changes in solution viscosity? (2008) (29)
- Protein motions are coupled to the reaction chemistry in coenzyme B12-dependent ethanolamine ammonia lyase. (2012) (29)
- Parallel Pathways and Free‐Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure (2009) (27)
- Structural and mechanistic aspects of flavoproteins: probes of hydrogen tunnelling (2009) (27)
- Pressure effects on enzyme-catalyzed quantum tunneling events arise from protein-specific structural and dynamic changes. (2012) (27)
- Untangling Heavy Protein and Cofactor Isotope Effects on Enzyme-Catalyzed Hydride Transfer. (2016) (26)
- Towards the free energy landscape for catalysis in mammalian nitric oxide synthases (2015) (26)
- Convergence of theory and experiment on the role of preorganization, quantum tunneling and enzyme motions into flavoenzyme-catalyzed hydride transfer. (2017) (26)
- Bipartite recognition and conformational sampling mechanisms for hydride transfer from nicotinamide coenzyme to FMN in pentaerythritol tetranitrate reductase (2009) (25)
- Energy Landscapes and Catalysis in Nitric-oxide Synthase* (2014) (25)
- Real‐time analysis of conformational control in electron transfer reactions of human cytochrome P450 reductase with cytochrome c (2015) (25)
- Conversion of the Escherichia coli cytochrome b562 to an archetype cytochrome b: a mutant with bis-histidine ligation of heme iron. (2005) (24)
- Moving a phenol hydroxyl group from the surface to the interior of a protein: effects on the phenol potential and pK(A). (2005) (22)
- Driving Force Analysis of Proton Tunnelling Across a Reactivity Series for an Enzyme‐Substrate Complex (2008) (21)
- Enzymatic control of cycloadduct conformation ensures reversible 1,3 dipolar cycloaddition in a prFMN dependent decarboxylase (2019) (21)
- Redox characteristics of a de novo quinone protein. (2007) (20)
- Structure and Mechanism of a Viral Collagen Prolyl Hydroxylase (2015) (20)
- Kinetic and spectroscopic probes of motions and catalysis in the cytochrome P450 reductase family of enzymes (2012) (19)
- Synthetic biology for fibres, adhesives and active camouflage materials in protection and aerospace. (2019) (19)
- Probing active site geometry using high pressure and secondary isotope effects in an enzyme-catalysed 'deep' H-tunnelling reaction. (2010) (19)
- Enzymatic single-molecule kinetic isotope effects. (2013) (19)
- Excited state dynamics can be used to probe donor-acceptor distances for H-tunneling reactions catalyzed by flavoproteins. (2013) (19)
- Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation. (2008) (19)
- Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code (2020) (18)
- Enzymatic C–H activation of aromatic compounds through CO2 fixation (2020) (18)
- Conformational dynamics of the cytochrome P450 BM3/N-palmitoylglycine complex: the proposed "proximal-distal" transition probed by temperature-jump spectroscopy. (2007) (18)
- Ratiometric detection of enzyme turnover and flavin reduction using rare-earth upconverting phosphors. (2014) (18)
- Publisher Correction: Photocatalysis as the ‘master switch’ of photomorphogenesis in early plant development (2021) (18)
- A quantitative fluorescence‐based steady‐state assay of DNA polymerase (2014) (18)
- An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme (2016) (17)
- A perspective on conformational control of electron transfer in nitric oxide synthases (2017) (15)
- Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions. (2008) (15)
- Ground-state Destabilization by Phe-448 and Phe-449 Contributes to Tyrosine Phenol-lyase Catalysis (2016) (15)
- Predicting new protein conformations from molecular dynamics simulation conformational landscapes and machine learning (2020) (14)
- Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase (2019) (14)
- Liver microsomal lipid enhances the activity and redox coupling of colocalized cytochrome P450 reductase‐cytochrome P450 3A4 in nanodiscs (2017) (14)
- Nuclear quantum tunnelling in enzymatic reactions--an enzymologist's perspective. (2015) (13)
- How Do Vanadium Chloroperoxidases Generate Hypochlorite from Hydrogen Peroxide and Chloride? A Computational Study (2020) (13)
- Correlating Calmodulin Landscapes with Chemical Catalysis in Neuronal Nitric Oxide Synthase using Time-Resolved FRET and a 5-Deazaflavin Thermodynamic Trap (2016) (13)
- Dynamic, Electrostatic Model for the Generation and Control of High-Energy Radical Intermediates by a Coenzyme B12-Dependent Enzyme (2013) (13)
- Solvent as a probe of active site motion and chemistry during the hydrogen tunnelling reaction in morphinone reductase. (2008) (12)
- Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis (2019) (12)
- Chapter 9:Probing Coupled Motions in Enzymatic Hydrogen Tunnelling Reactions: Beyond Temperature-Dependence Studies of Kinetic Isotope Effects (2009) (12)
- Nonequivalence of Second Sphere “Noncatalytic” Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes (2018) (11)
- Correction of pre-steady-state KIEs for isotopic impurities and the consequences of kinetic isotope fractionation. (2008) (11)
- Engineering an Efficient and Enantioselective Enzyme for the Morita-Baylis-Hillman Reaction (2021) (11)
- Proton tunnelling and promoting vibrations during the oxidation of ascorbate by ferricyanide? (2014) (11)
- Pressurized CO2 as a carboxylating agent for the biocatalytic ortho-carboxylation of resorcinol† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8gc00008e (2018) (10)
- Non-covalent protein-based adhesives for transparent substrates—bovine serum albumin vs. recombinant spider silk (2020) (10)
- A common mechanism for coenzyme cobalamin-dependent reductive dehalogenases. (2017) (10)
- Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence (2021) (10)
- Time Course Analysis of Enzyme-Catalyzed DNA Polymerization. (2016) (9)
- Practical aspects on the use of kinetic isotope effects as probes of flavoprotein enzyme mechanisms. (2014) (9)
- Preparation and photophysical properties of a caged kynurenine. (2012) (9)
- Does the pressure dependence of kinetic isotope effects report usefully on dynamics in enzyme H‐transfer reactions? (2015) (9)
- Dual role of the active site ‘lid’ regions of protochlorophyllide oxidoreductase in photocatalysis and plant development (2020) (9)
- Making a single-chain four-helix bundle for redox chemistry studies. (2008) (9)
- Selectivity through discriminatory induced fit enables switching of NAD(P)H coenzyme specificity in Old Yellow Enzyme ene‐reductases (2019) (8)
- 1H, 15N and 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 (2017) (8)
- Probing Reversible Chemistry in Coenzyme B12-Dependent Ethanolamine Ammonia Lyase with Kinetic Isotope Effects (2015) (7)
- UbiD domain dynamics underpins aromatic decarboxylation (2021) (7)
- Taming the Reactivity of Monoterpene Synthases To Guide Regioselective Product Hydroxylation (2019) (7)
- Blood, sweat, and tears: extraterrestrial regolith biocomposites with in vivo binders (2021) (7)
- H-transfers in Photosystem II: what can we learn from recent lessons in the enzyme community? (2008) (6)
- Photochemical Spin Dynamics of the Vitamin B12 Derivative, Methylcobalamin. (2019) (6)
- A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase (2021) (6)
- MhuD from Mycobacterium tuberculosis - probing a dual role in heme storage and degradation. (2019) (6)
- Modulation of ligand–heme reactivity by binding pocket residues demonstrated in cytochrome c' over the femtosecond–second temporal range (2013) (6)
- Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production (2021) (5)
- Evidence of preorganization in quinonoid intermediate formation from L-Trp in H463F mutant Escherichia coli tryptophan indole-lyase from effects of pressure and pH. (2012) (5)
- Graphene-aramid nanocomposite fibres via superacid co-processing. (2019) (5)
- Expanding the scope of biomolecule monitoring with ratiometric signaling from rare-earth upconverting phosphors (2017) (4)
- Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics (2019) (4)
- Ultrafast Vibrational Energy Transfer between Protein and Cofactor in a Flavoenzyme (2020) (3)
- How Photoactivation Triggers Protochlorophyllide Reduction: Computational Evidence of a Stepwise Hydride Transfer during Chlorophyll Biosynthesis (2022) (3)
- Isotopically labeled flavoenzymes and their uses in probing reaction mechanisms. (2019) (3)
- What are the signatures of tunnelling in enzyme-catalysed reactions? (2019) (3)
- A Vitamin B2‐Photocatalysed Approach to Methionine Analogues (2022) (2)
- Interplay between chromophore binding and domain assembly by the B12-dependent photoreceptor protein, CarH† (2021) (2)
- 1H, 15N, 13C backbone resonance assignments of human soluble catechol O-methyltransferase in complex with S-adenosyl-l-methionine and 3,5-dinitrocatechol (2016) (2)
- Evaluating spectral overlap with the degree of quenching in UCP luminescence energy transfer systems (2019) (2)
- How a 10-epi-Cubebol Synthase Avoids Premature Reaction Quenching to Form a Tricyclic Product at High Purity (2022) (2)
- Trapping methods for probing functional intermediates in nitric oxide synthases and related enzymes. (2018) (2)
- Combined Pulsed Electron Double Resonance EPR and Molecular Dynamics Investigations of Calmodulin Suggest Effects of Crowding Agents on Protein Structures (2022) (2)
- Covalent Attachment of Active Enzymes to Upconversion Phosphors Allows Ratiometric Detection of Substrates (2020) (2)
- Evaluating spectral overlap with the degree of quenching in UCP luminescence energy transfer systems (2020) (1)
- Publisher Correction: Photocatalysis as the ‘master switch’ of photomorphogenesis in early plant development (2021) (1)
- Examining the importance of dynamics, barrier compression and hydrogen tunnelling in enzyme catalysed reactions (2011) (1)
- Chelator-Based Parameterization of the 12-6-4 Lennard-Jones Molecular Mechanics Potential for More Realistic Metal Ion–Protein Interactions (2022) (1)
- Molecular Determinants of Carbocation Cyclisation in Bacterial Monoterpene Synthases (2022) (1)
- Extracting Kinetic Isotope Effects From a Global Analysis of Reaction Progress Curves. (2017) (1)
- Author response for "Predicting New Protein Conformations from Molecular Dynamics Simulation Conformational Landscapes and Machine Learning" (2021) (0)
- Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis (2019) (0)
- Ca2+-Calmodulin exerts thermodynamic and conformational regulation over electron transport in nNOS (2008) (0)
- Chelator-based parameterization of the 12-6-4LJ molecular mechanics potential for more realistic metal ion-protein interactions (2021) (0)
- Integrating computational methods with experiment uncovers the role of dynamics in enzyme catalysed H-tunnelling reactions (2010) (0)
- Photoinduced Electron Transfer from a 1,4,5,6-Tetrahydro Nicotinamide Adenine Dinucleotide (Phosphate) Analogue to Oxidized Flavin in an Ene-Reductase Flavoenzyme (2023) (0)
- Data set for "Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host-Guest Complexes" (2018) (0)
- Protein engineering of novel porphyrin/quinone-binding proteins for light-induced electron transfer (2005) (0)
- Reductases Transfer in the Copper-containing Nitrite Demonstration of Proton-coupled Electron Enzyme Catalysis and Regulation : (2009) (0)
- Probing proton-coupled electron transfer in model tyrosyl radical proteins (2008) (0)
- The crystal structure of viral collagen prolyl hydroxylase vCPH from Paramecium Bursaria Chlorella virus-1 - Truncated Construct (2015) (0)
- De Novo Design and Synthesis of Polypeptides Based on Photosystem II (2001) (0)
- Evaluating spectral overlap with the degree of quenching in UCP luminescence energy transfer systems (2019) (0)
- Moritella profunda dihydrofolate reductase (DHFR) (2009) (0)
- 1H, 15N and 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 (2017) (0)
- 1H, 15N, 13C backbone resonance assignments of human soluble catechol O-methyltransferase in complex with S-adenosyl-l-methionine and 3,5-dinitrocatechol (2016) (0)
- Promoting motions facilitate nuclear tunneling in flavoprotein enzymes (2008) (0)
- Detection of aqueous uranyl(VI) species using rare-earth upconversion nanophosphors (2016) (0)
- Assessing the Covalent Attachment and Energy Transfer Capabilities of Upconverting Phosphors With Cofactor Containing Bioactive Enzymes (2020) (0)
- Structural basis for light-driven enzyme catalysis in chlorophyll biosynthesis (2019) (0)
- Biosensing applications of upconverting lanthanide nanophosphors (2016) (0)
- Conversion of Cytonchrome b562 into a Photoactive Quinone-binding Protein (2005) (0)
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