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Lista de obras de Robert Paton

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

artículo científico publicado en 2008

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

artículo científico publicado en 2016

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

artículo científico publicado en 2017

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

artículo científico publicado en 2014

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

artículo científico publicado en 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

artículo científico publicado en 2012

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

artículo científico publicado en 2017

Asymmetric Total Syntheses and Structure Confirmation of Chlorofucins and Bromofucins

artículo científico publicado en 2017

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

artículo científico publicado en 2013

Asymmetric nucleophilic fluorination under hydrogen bonding phase-transfer catalysis.

artículo científico publicado en 2018

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

artículo científico publicado en 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.

artículo científico publicado en 2017

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

artículo científico publicado en 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

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 2018

Computational Design of New Protein Catalysts

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

artículo científico publicado en 2016

Computing organic stereoselectivity - from concepts to quantitative calculations and predictions

artículo científico publicado en 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

artículo científico publicado en 2017

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

artículo científico publicado en 2015

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

artículo científico publicado en 2016

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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

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

artículo científico publicado en 2016

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

artículo científico publicado en 2013

Dinuclear Palladium Complexes-Precursors or Catalysts?

artículo científico publicado en 2012

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

Direct sulfonylation of anilines mediated by visible light.

artículo científico publicado en 2017

Dissecting non-covalent interactions in oxazaborolidinium catalyzed cycloadditions of maleimides

article

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

artículo científico publicado en 2017

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

artículo científico publicado en 2018

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

artículo científico publicado en 2017

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

artículo científico publicado en 2015

Enantioselectivity in the boron aldol reactions of methyl ketones

artículo científico publicado en 2007

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

artículo científico publicado en 2013

Enzymatic catalysis of anti-Baldwin ring closure in polyether biosynthesis

artículo científico publicado en 2012

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

artículo científico publicado en 2015

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

artículo científico publicado en 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

artículo científico publicado en 2011

Exploration of the accessible chemical space of acyclic alkanes

artículo científico publicado en 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.

artículo científico publicado en 2018

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

artículo científico publicado en 2018

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

artículo científico publicado en 2019

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

artículo científico publicado en 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

artículo científico publicado en 2011

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

artículo científico publicado en 2022

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

artículo científico publicado en 2016

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

artículo científico publicado en 2018

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

artículo científico publicado en 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

artículo científico publicado en 2019

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

artículo científico publicado en 2019

Indolyne and aryne distortions and nucleophilic regioselectivites

artículo científico publicado en 2010

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

artículo científico publicado en 2010

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

artículo científico publicado en 2014

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

artículo científico publicado en 2017

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

artículo científico publicado en 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

artículo científico publicado en 2019

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

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 2013

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

artículo científico publicado en 2017

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

artículo científico publicado en 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.

artículo científico publicado en 2010

Origins of stereoselectivity in the trans Diels-Alder paradigm

artículo científico publicado en 2010

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

artículo científico publicado en 2019

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

artículo científico publicado en 2014

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

artículo científico publicado en 2017

Photocatalytic C–F bond activation in small molecules and polyfluoroalkyl substances

artículo científico publicado en 2024

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

artículo científico publicado en 2016

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

artículo científico publicado en 2020

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

artículo científico publicado en 2013

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

artículo científico publicado en 2013

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

artículo científico publicado en 2021

Recognition of shorter and longer trimethyllysine analogues by epigenetic reader proteins

artículo científico publicado en 2018

Role of Hydrogen-Bonding Acceptors in Organo-Enamine Catalysis

artículo científico publicado en 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

artículo científico publicado en 2022

Small molecule inhibitors of bromodomain-acetyl-lysine interactions

artículo científico publicado en 2015

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

artículo científico publicado en 2008

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

artículo científico publicado en 2017

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

artículo científico publicado en 2019

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

artículo científico publicado en 2013

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

artículo científico publicado en 2015

Synthesis of Cyclic α-Aminophosphonates through Copper Catalyzed Enamine Activation

artículo científico publicado en 2013

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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 2008

Thermal and Photochemical Mechanisms for Cyclobutane Formation in Bielschowskysin Biosynthesis

article

Total Synthesis of (-)-Himalensine A.

artículo científico publicado en 2017

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

artículo científico publicado en 2006

Unraveling the Mechanism of Cascade Reactions of Zincke Aldehydes

artículo científico publicado el 25 de febrero de 2011

Visible Light Photocatalysis of 6π Heterocyclization

artículo científico publicado en 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

artículo científico publicado en 2015