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List of works by Robert Paton

1,5-anti stereocontrol in the boron-mediated aldol reactions of beta-alkoxy methyl ketones: the role of the formyl hydrogen bond

scientific article published on 23 January 2008

A Counterion-Directed Approach to the Diels-Alder Paradigm: Cascade Synthesis of Tricyclic Fused Cyclopropanes

scientific article published on 07 October 2016

A New Mechanism for β-Lactamases: Class D Enzymes Degrade 1β-Methyl Carbapenems through Lactone Formation.

scientific article

A Pyridine-Pyridine Cross-Coupling Reaction via Dearomatized Radical Intermediates

scientific article published on 09 September 2019

A series of potent CREBBP bromodomain ligands reveals an induced-fit pocket stabilized by a cation-π interaction

scientific article published on 12 May 2014

Adenosine Monophosphate Binding Stabilizes the KTN Domain of the Shewanella denitrificans Kef Potassium Efflux System. ⬇️

scientific article published on 28 June 2017

Alkyne Linchpin Strategy for Drug:Pharmacophore Conjugation: Experimental and Computational Realization of a Meta-Selective Inverse Sonogashira Coupling

scientific article published on 12 February 2020

An efficient computational model to predict the synthetic utility of heterocyclic arynes

scientific article published on 3 February 2012

Asymmetric Induction in C-Alkylation of Tropane-Derived Enamines: Congruence Between Computation and Experiment

scientific article published on 27 September 2017

Asymmetric Total Syntheses and Structure Confirmation of Chlorofucins and Bromofucins

scientific article

Asymmetric Total Synthesis of (+)-Bermudenynol, a C15LaurenciaMetabolite with a Vinyl Chloride Containing Oxocene Skeleton, through Intramolecular Amide Enolate Alkylation

scientific article published on 13 November 2013

Asymmetric nucleophilic fluorination under hydrogen bonding phase-transfer catalysis.

scientific article

Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles

scientific article published on 23 July 2018

Biosynthesis of Providencin: Understanding Photochemical Cyclobutane Formation with Density Functional Theory

article

C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines

scientific article published on 29 January 2013

C-H Cyanation of 6-Ring N-Containing Heteroaromatics.

scientific article

Catalytic Control in Cyclizations: From Computational Mechanistic Understanding to Selectivity Prediction.

scientific article published on 3 May 2016

Catalytic Enantio- and Diastereoselective Mannich Addition of TosMIC to Ketimines

scientific article published on 31 October 2018

Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization

scientific article published in February 2014

Cation-π interactions in CREBBP bromodomain inhibition: an electrostatic model for small-molecule binding affinity and selectivity

scientific article published on 4 November 2016

Cation-π interactions in protein-ligand binding: theory and data-mining reveal different roles for lysine and arginine.

scientific article

Computational Design of New Protein Catalysts

Computational ligand design in enantio- and diastereoselective ynamide [5+2] cycloisomerization.

scientific article published on 5 January 2016

Computing organic stereoselectivity - from concepts to quantitative calculations and predictions

scientific article published on 12 September 2016

Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons

scientific article published on 29 November 2012

Conformational Effects on Physical-Organic Descriptors – the Case of Sterimol Steric Parameters

article

Conformational Effects on Physical-Organic Descriptors – the Case of Sterimol Steric Parameters

Construction of 6,10-syn- and -anti-2,5-Dioxabicyclo[2.2.1]heptane Skeletons via Oxonium Ion Formation/Fragmentation: Prediction of Structure of (E)-Ocellenyne by NMR Calculation

scientific article published on 07 November 2017

Coordination diversity in hydrogen-bonded homoleptic fluoride-alcohol complexes modulates reactivity

scientific article published on 22 June 2015

Correction to Small Molecule Inhibitors of Bromodomain-Acetyl-lysine Interactions.

scientific article published on 12 January 2016

Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study

scientific article published on 6 January 2017

Detailed Mechanistic Studies on Palladium-Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling

scientific article published on 20 December 2016

Development of a True Transition State Force Field from Quantum Mechanical Calculations.

scientific article

Diels-Alder reactivities of strained and unstrained cycloalkenes with normal and inverse-electron-demand dienes: activation barriers and distortion/interaction analysis

scientific article published on 2 October 2013

Dinuclear Palladium Complexes-Precursors or Catalysts?

scientific article published on 11 September 2012

Dioxygen Binding in the Active Site of Histone Demethylase JMJD2A and the Role of the Protein Environment

scientific article published on 10 December 2015

Dioxygen Binding in the Active Site of Histone Demethylase JMJD2A and the Role of the Protein Environment.

scientific article published on 18 November 2015

Direct sulfonylation of anilines mediated by visible light.

scientific article published on 16 November 2017

Dissecting non-covalent interactions in oxazaborolidinium catalyzed cycloadditions of maleimides

article

Divergent Photocyclization/1,4-Sigmatropic Rearrangements for the Synthesis of Sesquiterpenoid Derivatives

scientific article published on 26 January 2017

Dynamic Intermediates in the Radical Cation Diels–Alder Cycloaddition: Lifetime and Suprafacial Stereoselectivity

scientific article published on 09 May 2018

Enantioselective Silver and Amine Co-catalyzed Desymmetrizing Cycloisomerization of Alkyne-Linked Cyclohexanones

scientific article published on 21 April 2017

Enantioselective desymmetrization of prochiral cyclohexanones by organocatalytic intramolecular Michael additions to α,β-unsaturated esters

scientific article published on 27 February 2015

Enantioselectivity in the boron aldol reactions of methyl ketones

scientific article published on 01 May 2007

Enhanced reactivity in dioxirane C-H oxidations via strain release: a computational and experimental study

scientific article published on 22 March 2013

Enzymatic catalysis of anti-Baldwin ring closure in polyether biosynthesis

scientific article

Erratum: Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization

scientific article published on 01 April 2015

Erratum: Corrigendum: Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization

scientific article published on 01 March 2016

Ethanol Dehydration in HZSM-5 Studied by Density Functional Theory: Evidence for a Concerted Process

article

Experimental Diels-Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained through Transition-State Distortion Energies

scientific article published on 09 September 2011

Exploration of the accessible chemical space of acyclic alkanes.

scientific article published on 20 October 2007

Fluorochemicals from fluorspar via a phosphate-enabled mechanochemical process that bypasses HF

scientific article published on 20 July 2023

Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.

scientific article published on 5 February 2018

Frontier molecular orbital effects control the hole-catalyzed racemization of atropisomeric biaryls

scientific article published on 18 December 2018

Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase

scientific article published on 23 September 2019

Gold(I)-Catalyzed Intermolecular Hydroalkoxylation of Allenes: A DFT study

scientific article published on 01 June 2009

Gold-Catalyzed, Intramolecular, Oxygen-Transfer Reactions of 2-Alkynyl-1,5-diketones or 2-Alkynyl-5-ketoesters: Scope, Expansion, and Mechanistic Investigations on a New [4+2] Cycloaddition

scientific article published on 09 August 2011

Halogenation of the 3-position of pyridines through Zincke imine intermediates

scientific article published on 18 November 2022

Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C-H activation

scientific article published on 23 September 2016

Heterobiaryl synthesis by contractive C–C coupling via P(V) intermediates

scientific article published in Science

Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines

scientific article published on 04 February 2019

Hydrogen bonding and pi-stacking: how reliable are force fields? A critical evaluation of force field descriptions of nonbonded interactions

scientific article published on April 2009

Hydrogen-Bond-Dependent Conformational Switching: A Computational Challenge from Experimental Thermochemistry

scientific article published on 09 January 2019

Hydrogen-Bond-Enabled Dynamic Kinetic Resolution of Axially Chiral Amides Mediated by a Chiral Counterion

scientific article published on 06 February 2019

Indolyne and aryne distortions and nucleophilic regioselectivites

scientific article

Indolyne experimental and computational studies: synthetic applications and origins of selectivities of nucleophilic additions

scientific article

Intramolecular Diels-Alder reactions of cycloalkenones: stereoselectivity, Lewis acid acceleration, and halogen substituent effects

scientific article published on 04 February 2014

Investigating d-lysine stereochemistry for epigenetic methylation, demethylation and recognition.

scientific article published on 29 November 2017

Investigations on recyclisation and hydrolysis in avibactam mediated serine β-lactamase inhibition

scientific article (publication date: 26 April 2016)

It's all downhill from here

article

Iterative Arylation of Amino Acids and Aliphatic Amines via δ-C(sp3 )-H Activation: Experimental and Computational Exploration

scientific article published on 21 March 2019

Ligand Bite Angle-Dependent Palladium-Catalyzed Cyclization of Propargylic Carbonates to 2-Alkynyl Azacycles or Cyclic Dienamides

scientific article published on 21 January 2014

Mechanisms of histone lysine-modifying enzymes: A computational perspective on the role of the protein environment.

scientific article

Mechanistic Insight into Palladium-Catalyzed Cycloisomerization: A Combined Experimental and Theoretical Study.

scientific article published on 12 July 2017

Mechanistic Insights into the Catalytic Asymmetric Allylboration of Ketones: Brønsted or Lewis Acid Activation?

scientific article published on 01 January 2009

Mechanistic Investigations into the Enantioselective Conia-Ene Reaction Catalyzed by Cinchona-Derived Amino Urea Pre-Catalysts and CuI

scientific article published on 05 September 2013

Molecular Recognition in Asymmetric Counteranion Catalysis: Understanding Chiral Phosphate-Mediated Desymmetrization

scientific article

Non-Hydrolytic β-Lactam Antibiotic Fragmentation by l,d-Transpeptidases and Serine β-Lactamase Cysteine Variants

scientific article published on 21 January 2019

Origins of Asymmetric Phosphazene Organocatalysis: Computations Reveal a Common Mechanism for Nitro- and Phospho-Aldol Additions

article

Origins of regioselectivity of Diels-Alder reactions for the synthesis of bisanthraquinone antibiotic BE-43472B.

scientific article

Origins of stereoselectivity in the trans Diels-Alder paradigm

scientific article published on July 2010

Palladium-Catalyzed Directed meta-Selective C-H Allylation of Arenes: Unactivated Internal Olefins as Allyl Surrogates

scientific article published on 24 June 2019

Phase-Transfer-Catalysed Synthesis of Pyrroloindolines and Pyridoindolines by a Hydrogen-Bond-Assisted Isocyanide Cyclization Cascade

scientific article published on 12 February 2014

Phosphazene Catalyzed Addition to Electron-Deficient Alkynes: The Importance of Nonlinear Allenyl Intermediates upon Stereoselectivity

scientific article

Post-translational site-selective protein backbone α-deuteration

article

Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

scientific article published on 11 May 2020

Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

scientific article published on 11 June 2020

QM/MM study on the enantioselectivity of spiroacetalization catalysed by an imidodiphosphoric acid catalyst: how confinement works

scientific article published on 02 February 2016

Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules

scientific article published on 21 July 2020

Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases use a copper-oxyl, oxygen-rebound mechanism

scientific article published on 16 December 2013

Rapid cross-metathesis for reversible protein modifications via chemical access to Se-allyl-selenocysteine in proteins

scientific article published on 8 August 2013

Real-time prediction of ¹H and ¹³C chemical shifts with DFT accuracy using a 3D graph neural network

scientific article published in 2021

Recognition of shorter and longer trimethyllysine analogues by epigenetic reader proteins

scientific article published on 19 February 2018

Role of Hydrogen-Bonding Acceptors in Organo-Enamine Catalysis

scientific article published on 15 July 2015

Selectivity in Transition Metal-catalyzed Cyclizations: Insights from Experiment and Theory

scientific article published on 01 September 2018

Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine

scientific article published in 2022

Small molecule inhibitors of bromodomain-acetyl-lysine interactions

scientific article published on January 2015

Stereostructure assignment of flexible five-membered rings by GIAO 13C NMR calculations: prediction of the stereochemistry of elatenyne

scientific article published on 10 May 2008

Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate.

scientific article published on 18 April 2017

Structure Determination of a Chloroenyne from Laurencia majuscula Using Computational Methods and Total Synthesis

scientific article published on 12 April 2019

Structure reassignment of laurefurenynes A and B by computation and total synthesis

scientific article

Substrate-Controlled Asymmetric Total Syntheses of Microcladallenes A, B, and C Based on the Proposed Structures

scientific article published on 17 September 2015

Synthesis of Cyclic α-Aminophosphonates through Copper Catalyzed Enamine Activation

scientific article published on February 2013

Synthesis of malhamensilipin A exploiting iterative epoxidation/chlorination: experimental and computational analysis of epoxide-derived chloronium ions.

scientific article published on 02 August 2016

Synthesis, Characterization, and Reactivity of Complex Tricyclic Oxonium Ions, Proposed Intermediates in Natural Product Biosynthesis

scientific article published on 27 September 2019

The True Catalyst Revealed: The Intervention of Chiral Ca and Mg Phosphates in Brønsted Acid Promoted Asymmetric Mannich Reactions

scientific article published on 09 April 2018

The [4+2], not [2+2], Mechanism Occurs in the Gold-Catalyzed Intramolecular Oxygen Transfer Reaction of 2-Alkynyl-1,5-Diketones

scientific article published on 01 November 2010

Theoretical study of the asymmetric conjugate alkenylation of enones catalyzed by binaphthols

scientific article published on 11 June 2008

Thermal and Photochemical Mechanisms for Cyclobutane Formation in Bielschowskysin Biosynthesis

article

Total Synthesis of (-)-Himalensine A.

scientific article published on 9 November 2017

Understanding the Origins of Remote Asymmetric Induction in the Boron Aldol Reactions of β-Alkoxy Methyl Ketones

scientific article published on 01 September 2006

Visible Light Photocatalysis of 6π Heterocyclization

scientific article published on 22 June 2017

α- and α'-Lithiation-Electrophile Trapping of N-Thiopivaloyl and N-tert-Butoxythiocarbonyl α-Substituted Azetidines: Rationalization of the Regiodivergence Using NMR and Computation.

scientific article published on 24 September 2015

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