| Year |
Citation |
Score |
| 2020 |
Popescu M, Mekareeya A, Alegre-Requena J, Paton R, Smith MD. Visible light mediated heterocycle functionalization via a geometrically interrupted [2+2] cycloaddition. Angewandte Chemie (International Ed. in English). PMID 32856748 DOI: 10.1002/Anie.202009704 |
0.347 |
|
| 2020 |
St John PC, Guan Y, Kim Y, Etz BD, Kim S, Paton RS. Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules. Scientific Data. 7: 244. PMID 32694541 DOI: 10.1038/S41597-020-00588-X |
0.718 |
|
| 2020 |
Roagna G, Ascough DMH, Ibba F, Vicini AC, Fontana A, Christensen KE, Peschiulli A, Oehlrich D, Misale A, Trabanco AA, Paton RS, Pupo G, Gouverneur V. Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines. Journal of the American Chemical Society. PMID 32608977 DOI: 10.1021/Jacs.0C05131 |
0.791 |
|
| 2020 |
Golec J, Carter E, Ward J, Whittingham W, Simon L, Paton R, Dixon DJ. BIMP Catalyzed 1,3-Prototropic Shift for the Highly Enantioselective Synthesis of Conjugated Cyclohexenones. Angewandte Chemie (International Ed. in English). PMID 32558981 DOI: 10.1002/Anie.202006202 |
0.359 |
|
| 2020 |
St John PC, Guan Y, Kim Y, Kim S, Paton RS. Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost. Nature Communications. 11: 3066. PMID 32528011 DOI: 10.1038/S41467-020-16706-7 |
0.688 |
|
| 2020 |
Levy JN, Alegre-Requena JV, Liu R, Paton RS, McNally A. Selective Halogenation of Pyridines Using Designed Phosphine Reagents. Journal of the American Chemical Society. PMID 32469220 DOI: 10.1021/Jacs.0C04674 |
0.373 |
|
| 2020 |
St John PC, Guan Y, Kim Y, Kim S, Paton RS. Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost. Nature Communications. 11: 2328. PMID 32393773 DOI: 10.1038/S41467-020-16201-Z |
0.709 |
|
| 2020 |
Hintzen JCJ, Poater J, Kumar K, Al Temimi AHK, Pieters BJGE, Paton RS, Bickelhaupt FM, Mecinović J. Comparison of Molecular Recognition of Trimethyllysine and Trimethylthialysine by Epigenetic Reader Proteins. Molecules (Basel, Switzerland). 25. PMID 32326252 DOI: 10.3390/Molecules25081918 |
0.582 |
|
| 2020 |
Porey S, Zhang X, Bhowmick S, Kumar Singh V, Guin S, Paton RS, Maiti D. An Alkyne Linchpin Strategy for Drug:Pharmacophore Conjugation: Experimental and Computational Realization of a -selective Inverse Sonogashira Coupling. Journal of the American Chemical Society. PMID 31910623 DOI: 10.1021/Jacs.9B10646 |
0.677 |
|
| 2020 |
Luchini G, Alegre-Requena JV, Funes-Ardoiz I, Paton RS. GoodVibes: automated thermochemistry for heterogeneous computational chemistry data F1000research. 9: 291. DOI: 10.12688/F1000Research.22758.1 |
0.756 |
|
| 2020 |
Zhang X, Paton RS. Stereoretention in styrene heterodimerisation promoted by one-electron oxidants Chemical Science. 11: 9309-9324. DOI: 10.1039/D0Sc03059G |
0.675 |
|
| 2020 |
Karabiyikoglu S, Brethomé AV, Palacin T, Paton RS, Fletcher SP. Enantiomerically enriched tetrahydropyridine allyl chlorides Chemical Science. 11: 4125-4130. DOI: 10.1039/D0Sc00377H |
0.365 |
|
| 2019 |
Brethomé AV, Paton RS, Fletcher SP. Retooling Asymmetric Conjugate Additions for Sterically Demanding Substrates with an Iterative Data-Driven Approach. Acs Catalysis. 9: 7179-7187. PMID 32064147 DOI: 10.1021/Acscatal.9B01814 |
0.405 |
|
| 2019 |
Liu B, Alegre-Requena J, Paton R, Miyake G. Unconventional Reactivity of Ethynylbenziodoxolone (EBX) Reagents and Thiols: Scope and Mechanism. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31657063 DOI: 10.1002/Chem.201904520 |
0.38 |
|
| 2019 |
Sam Chan HS, Nguyen QNN, Paton RS, Burton JW. Synthesis, Characterization, and Reactivity of Complex Tricyclic Oxonium Ions, Proposed Intermediates in Natural Product Biosynthesis. Journal of the American Chemical Society. PMID 31560524 DOI: 10.1021/Jacs.9B07438 |
0.307 |
|
| 2019 |
Dan Q, Newmister SA, Klas KR, Fraley AE, McAfoos TJ, Somoza AD, Sunderhaus JD, Ye Y, Shende VV, Yu F, Sanders JN, Brown WC, Zhao L, Paton RS, Houk KN, et al. Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nature Chemistry. PMID 31548667 DOI: 10.1038/S41557-019-0326-6 |
0.475 |
|
| 2019 |
Koniarczyk JL, Greenwood JW, Alegre-Requena JV, Paton RS, McNally A. A Pyridine-Pyridine Cross-Coupling Reaction via Dearomatized Radical Intermediates. Angewandte Chemie (International Ed. in English). PMID 31400037 DOI: 10.1002/Anie.201906267 |
0.317 |
|
| 2019 |
Achar TK, Zhang X, Mondal R, S SM, Maiti S, Maity S, Pal N, Paton RS, Maiti D. Palladium-Catalyzed Directed meta-Selective C-H Allylation of Arenes: Unactivated Internal Olefins as Allyl Surrogates. Angewandte Chemie (International Ed. in English). PMID 31125484 DOI: 10.1002/Anie.201904608 |
0.674 |
|
| 2019 |
Shepherd ED, Dyson BS, Hak WE, Nguyen QNN, Lee M, Kim MJ, Sohn TI, Kim D, Burton JW, Paton RS. Structure Determination of a Chloroenyne from Laurencia majuscula Using Computational Methods and Total Synthesis. The Journal of Organic Chemistry. PMID 30977652 DOI: 10.1021/Acs.Joc.8B02975 |
0.327 |
|
| 2019 |
Tan JSJ, Paton RS. Frontier molecular orbital effects control the hole-catalyzed racemization of atropisomeric biaryls. Chemical Science. 10: 2285-2289. PMID 30931095 DOI: 10.1039/C8Sc05066J |
0.672 |
|
| 2019 |
Maiti D, Paton RS, Guin S, Dolui P, Zhang X, Paul S, Singh VK, Pradhan S, Chandrashekar HB, S AS. Iterative Arylation of Amino Acids and Aliphatic Amines via δ-C(sp3)-H Activation: Experimental and Computational Exploration. Angewandte Chemie (International Ed. in English). PMID 30821038 DOI: 10.1002/Anie.201900479 |
0.656 |
|
| 2019 |
Tang B, Paton RS. Biosynthesis of Providencin: Understanding Photochemical Cyclobutane Formation with Density Functional Theory. Organic Letters. PMID 30767534 DOI: 10.1021/Acs.Orglett.8B03838 |
0.314 |
|
| 2019 |
Pupo G, Vicini AC, Ascough DMH, Ibba F, Christensen KE, Thompson AL, Brown JM, Paton RS, Gouverneur V. Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines. Journal of the American Chemical Society. PMID 30689372 DOI: 10.1021/Jacs.8B12568 |
0.794 |
|
| 2019 |
Fugard A, Lahdenperä A, Mekareeya A, Tan J, Paton R, Smith MD. Hydrogen bond enabled dynamic kinetic resolution of axially chiral amides mediated by a chiral counterion. Angewandte Chemie (International Ed. in English). PMID 30644159 DOI: 10.1002/Anie.201814362 |
0.346 |
|
| 2019 |
Brethomé AV, Fletcher SP, Paton RS. Conformational Effects on Physical-Organic Descriptors: The Case of Sterimol Steric Parameters Acs Catalysis. 9: 2313-2323. DOI: 10.1021/Acscatal.8B04043 |
0.342 |
|
| 2019 |
Luchini G, Ascough DM, Alegre-Requena JV, Gouverneur V, Paton RS. Data-mining the diaryl(thio)urea conformational landscape: Understanding the contrasting behavior of ureas and thioureas with quantum chemistry Tetrahedron. 75: 697-702. DOI: 10.1016/J.Tet.2018.12.033 |
0.746 |
|
| 2019 |
Hyde S, Veliks J, Ascough DM, Szpera R, Paton RS, Gouverneur V. Enantioselective rhodium-catalysed insertion of trifluorodiazoethanes into tin hydrides Tetrahedron. 75: 17-25. DOI: 10.1016/J.Tet.2018.11.022 |
0.786 |
|
| 2018 |
Luccarelli J, Paton RS. Hydrogen-bond dependent conformational switching: a computational challenge from experimental thermochemistry. The Journal of Organic Chemistry. PMID 30586500 DOI: 10.1021/Acs.Joc.8B02436 |
0.344 |
|
| 2018 |
Lohans CT, Chan HTH, Malla TR, Kumar K, Kamps JJAG, McArdle DJB, van Groesen E, de Munnik M, Tooke CL, Spencer J, Paton RS, Brem J, Schofield C. Non-Hydrolytic β-Lactam Antibiotic Fragmentation by L,D-Transpeptidases and Serine β-Lactamase Cysteine Variants. Angewandte Chemie (International Ed. in English). PMID 30569575 DOI: 10.1002/Anie.201809424 |
0.552 |
|
| 2018 |
Hilton MC, Zhang X, Boyle BT, Alegre-Requena JV, Paton RS, McNally A. Heterobiaryl synthesis by contractive C-C coupling via P(V) intermediates. Science (New York, N.Y.). 362: 799-804. PMID 30442804 DOI: 10.1126/Science.Aas8961 |
0.334 |
|
| 2018 |
Ascough DMH, Duarte F, Paton RS. Stereospecific 1,3-H Transfer of Indenols Proceeds via Persistent Ion-Pairs Anchored By NH··· Pi Interactions. Journal of the American Chemical Society. PMID 30338998 DOI: 10.1021/Jacs.8B09874 |
0.789 |
|
| 2018 |
Anderson EA, Paton RS. Selectivity in Transition Metal-catalyzed Cyclizations: Insights from Experiment and Theory. Chimia. 72: 614-620. PMID 30257737 DOI: 10.2533/Chimia.2018.614 |
0.402 |
|
| 2018 |
Dixon DJ, Franchino A, Chapman J, Funes-Ardoiz I, Paton R. Catalytic Enantio- and Diastereoselective Mannich Addition of TosMIC to Ketimines. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30246415 DOI: 10.1002/Chem.201804099 |
0.4 |
|
| 2018 |
Galan SRG, Wickens JR, Dadova J, Ng WL, Zhang X, Simion RA, Quinlan R, Pires E, Paton RS, Caddick S, Chudasama V, Davis BG. Post-translational site-selective protein backbone α-deuteration. Nature Chemical Biology. 14: 955-963. PMID 30224694 DOI: 10.1038/S41589-018-0128-Y |
0.652 |
|
| 2018 |
Formica M, Sorin G, Farley AJM, Díaz J, Paton RS, Dixon DJ. Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles. Chemical Science. 9: 6969-6974. PMID 30210771 DOI: 10.1039/C8Sc01804A |
0.392 |
|
| 2018 |
Pupo G, Ibba F, Ascough DMH, Vicini AC, Ricci P, Christensen KE, Pfeifer L, Morphy JR, Brown JM, Paton RS, Gouverneur V. Asymmetric nucleophilic fluorination under hydrogen bonding phase-transfer catalysis. Science (New York, N.Y.). 360: 638-642. PMID 29748281 DOI: 10.1126/Science.Aar7941 |
0.792 |
|
| 2018 |
Tan JSJ, Hirvonen V, Paton RS. Dynamic Intermediates in the Radical Cation Diels-Alder Cycloaddition: Lifetime and Suprafacial Stereoselectivity. Organic Letters. PMID 29741386 DOI: 10.1021/Acs.Orglett.8B00737 |
0.667 |
|
| 2018 |
Kumar K, Woo SM, Siu T, Cortopassi WA, Duarte F, Paton RS. Cation-π interactions in protein-ligand binding: theory and data-mining reveal different roles for lysine and arginine. Chemical Science. 9: 2655-2665. PMID 29719674 DOI: 10.1039/C7Sc04905F |
0.785 |
|
| 2018 |
Ardkhean R, Mortimore M, Paton RS, Fletcher SP. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical Science. 9: 2628-2632. PMID 29675255 DOI: 10.1039/C7Sc05304E |
0.789 |
|
| 2018 |
Johnson TC, Elbert BL, Farley AJM, Gorman TW, Genicot C, Lallemand B, Pasau P, Flasz J, Castro JL, MacCoss M, Dixon DJ, Paton RS, Schofield CJ, Smith MD, Willis MC. Direct sulfonylation of anilines mediated by visible light. Chemical Science. 9: 629-633. PMID 29629128 DOI: 10.1039/C7Sc03891G |
0.336 |
|
| 2018 |
Simón L, Paton RS. The True Catalyst revealed: The Intervention of Chiral Ca and Mg Phosphates in Brønsted Acid Promoted Asymmetric Mannich Reactions. Journal of the American Chemical Society. PMID 29601189 DOI: 10.1021/Jacs.7B13678 |
0.344 |
|
| 2018 |
Al Temimi AHK, Belle R, Kumar K, Poater J, Betlem P, Pieters BJGE, Paton RS, Bickelhaupt FM, Mecinović J. Recognition of shorter and longer trimethyllysine analogues by epigenetic reader proteins. Chemical Communications (Cambridge, England). PMID 29457186 DOI: 10.1039/C8Cc01009A |
0.57 |
|
| 2018 |
Christensen E, Fioroni GM, Kim S, Fouts L, Gjersing E, Paton RS, McCormick RL. Experimental and theoretical study of oxidative stability of alkylated furans used as gasoline blend components Fuel. 212: 576-585. DOI: 10.1016/J.Fuel.2017.10.066 |
0.321 |
|
| 2017 |
Lohans CT, van Groesen E, Kumar K, Tooke CL, Spencer J, Paton RS, Brem J, Schofield C. A New Mechanism for β-Lactamases: Class D Enzymes Degrade 1β-Methyl Carbapenems via Lactone Formation. Angewandte Chemie (International Ed. in English). PMID 29236332 DOI: 10.1002/Anie.201711308 |
0.531 |
|
| 2017 |
Belle R, Al Temimi AHK, Kumar K, Pieters BJGE, Tumber A, Dunford JE, Johansson C, Oppermann U, Brown T, Schofield CJ, Hopkinson RJ, Paton RS, Kawamura A, Mecinović J. Investigating d-lysine stereochemistry for epigenetic methylation, demethylation and recognition. Chemical Communications (Cambridge, England). 53: 13264-13267. PMID 29186216 DOI: 10.1039/C7Cc08028J |
0.562 |
|
| 2017 |
Shi H, Michaelides IN, Darses B, Jakubec P, Nguyen QNN, Paton RS, Dixon DJ. Total synthesis of (-)-himalensine A. Journal of the American Chemical Society. PMID 29120635 DOI: 10.1021/Jacs.7B10956 |
0.333 |
|
| 2017 |
Jeong D, Sohn TI, Kim JY, Kim G, Kim D, Paton RS. 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. Organic Letters. PMID 29112433 DOI: 10.1021/Acs.Orglett.7B03226 |
0.315 |
|
| 2017 |
Li Y, Jackson KE, Charlton A, Le Neve-Foster B, Khurshid A, Rudy HA, Thompson AL, Paton RS, Hodgson DM. Asymmetric Induction in C-Alkylation of Tropane-Derived Enamines: Congruence Between Computation and Experiment. The Journal of Organic Chemistry. PMID 28952729 DOI: 10.1021/Acs.Joc.7B01954 |
0.693 |
|
| 2017 |
Elbert B, Farley A, Gorman T, Johnson T, Genicot C, Lallemand B, Pasau P, Flasz J, Castro J, Maccoss M, Paton R, Schofield C, Smith M, Willis M, Dixon DJ. A C-H Cyanation of 6-Ring N-Containing Heteroaromatics. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28833674 DOI: 10.1002/Chem.201703931 |
0.314 |
|
| 2017 |
Mekareeya A, Walker PR, Couce-Rios A, Campbell CD, Steven A, Paton RS, Anderson EA. Mechanistic Insight into Palladium-Catalyzed Cycloisomerization: A Combined Experimental and Theoretical Study. Journal of the American Chemical Society. PMID 28699749 DOI: 10.1021/Jacs.7B05436 |
0.356 |
|
| 2017 |
Pliotas C, Grayer SC, Ekkerman S, Chan AK, Healy J, Marius P, Bartlett W, Khan A, Cortopassi WA, Chandler SA, Rasmussen T, Benesch JL, Paton RS, Claridge TDW, Miller S, et al. AMP binding stabilizes the KTN domain of the Shewanella denitrificans Kef potassium efflux system. Biochemistry. PMID 28656748 DOI: 10.1021/Acs.Biochem.7B00300 |
0.707 |
|
| 2017 |
Smith MD, Münster N, Parker N, van Dijk L, Paton R. Visible light photocatalysis of 6π heterocyclization. Angewandte Chemie (International Ed. in English). PMID 28640479 DOI: 10.1002/Anie.201705333 |
0.359 |
|
| 2017 |
Duarte F, Paton RS. Molecular Recognition in Asymmetric Counteranion Catalysis: Understanding Chiral Phosphate-Mediated Desymmetrization. Journal of the American Chemical Society. PMID 28582626 DOI: 10.1021/Jacs.7B02468 |
0.642 |
|
| 2017 |
Semakul N, Jackson KE, Paton RS, Rovis T. Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C-H activation. Chemical Science. 8: 1015-1020. PMID 28451239 DOI: 10.1039/C6Sc02587K |
0.697 |
|
| 2017 |
Manzano R, Datta S, Paton RS, Dixon DJ. Enantioselective Silver and Amine Co-catalyzed Desymmetrizing Cycloisomerization of Alkyne-linked Cyclohexanones. Angewandte Chemie (International Ed. in English). PMID 28429384 DOI: 10.1002/Anie.201612048 |
0.393 |
|
| 2017 |
Zhang Z, Smart TJ, Choi H, Hardy F, Lohans CT, Abboud MI, Richardson MSW, Paton RS, McDonough MA, Schofield CJ. Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate. Proceedings of the National Academy of Sciences of the United States of America. PMID 28420789 DOI: 10.1073/Pnas.1617760114 |
0.358 |
|
| 2017 |
Simón L, Paton RS. Phosphazene catalyzed addition to electron-deficient alkynes: the importance of non-linear allenyl intermediates upon stereoselectivity. The Journal of Organic Chemistry. PMID 28301156 DOI: 10.1021/Acs.Joc.7B00540 |
0.381 |
|
| 2017 |
Gorobets E, Wong NE, Paton RS, Derksen DJ. Divergent Photocyclization/1,4-Sigmatropic Rearrangements for the Synthesis of Sesquiterpenoid Derivatives. Organic Letters. PMID 28124915 DOI: 10.1021/Acs.Orglett.6B03635 |
0.369 |
|
| 2017 |
Piou T, Romanov-Michailidis F, Romanova-Michaelides M, Jackson KE, Semakul N, Taggart TD, Newell BS, Rithner CD, Paton RS, Rovis T. Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. Journal of the American Chemical Society. PMID 28060499 DOI: 10.1021/Jacs.6B11670 |
0.712 |
|
| 2017 |
Ardkhean R, Roth PMC, Maksymowicz RM, Curran A, Peng Q, Paton RS, Fletcher SP. Enantioselective Conjugate Addition Catalyzed by a Copper Phosphoramidite Complex: Computational and Experimental Exploration of Asymmetric Induction Acs Catalysis. 7: 6729-6737. DOI: 10.1021/Acscatal.7B01453 |
0.786 |
|
| 2017 |
Yu C, Ma X, Chen B, Tang B, Paton RS, Zhang G. Dual Gold‐Catalyzed Three‐Component Reaction: Efficient Synthesis of Indene‐Fused Esters, Acids, and Lactones through Gold Vinylidene Intermediates European Journal of Organic Chemistry. 2017: 1561-1565. DOI: 10.1002/Ejoc.201700084 |
0.314 |
|
| 2016 |
Choi H, Min M, Peng Q, Kang D, Paton RS, Hong S. Unraveling innate substrate control in site-selective palladium-catalyzed C-H heterocycle functionalization. Chemical Science. 7: 3900-3909. PMID 30155034 DOI: 10.1039/C5Sc04590H |
0.513 |
|
| 2016 |
Saska J, Lewis W, Paton RS, Denton RM. Synthesis of malhamensilipin A exploiting iterative epoxidation/chlorination: experimental and computational analysis of epoxide-derived chloronium ions. Chemical Science. 7: 7040-7049. PMID 28337338 DOI: 10.1039/C6Sc03012B |
0.318 |
|
| 2016 |
Deb A, Peng Q, Hazra A, Paton RS, Maiti D. Detailed Mechanistic Studies on Palladium Catalyzed Selective C-H Olefination with Aliphatic Alkenes: A Significant Influence of Proton Shuttling. Journal of the American Chemical Society. PMID 27997801 DOI: 10.1021/Jacs.6B10309 |
0.544 |
|
| 2016 |
Cortopassi WA, Kumar K, Paton RS. Cation-π interactions in CREBBP bromodomain inhibition: an electrostatic model for small-molecule binding affinity and selectivity. Organic & Biomolecular Chemistry. PMID 27814427 DOI: 10.1039/C6Ob02234K |
0.775 |
|
| 2016 |
Peng Q, Duarte F, Paton RS. Computing organic stereoselectivity - from concepts to quantitative calculations and predictions. Chemical Society Reviews. PMID 27722685 DOI: 10.1039/C6Cs00573J |
0.681 |
|
| 2016 |
Kiss E, Campbell CD, Driver RW, Jolliffe JD, Lang R, Sergeieva T, Okovytyy S, Paton RS, Smith MD. A Counterion-Directed Approach to the Diels-Alder Paradigm: Cascade Synthesis of Tricyclic Fused Cyclopropanes. Angewandte Chemie (International Ed. in English). PMID 27714921 DOI: 10.1002/Anie.201608534 |
0.359 |
|
| 2016 |
Cortopassi WA, Kumar K, Duarte F, Pimentel AS, Paton RS. Mechanisms of histone lysine-modifying enzymes: A computational perspective on the role of the protein environment. Journal of Molecular Graphics & Modelling. 67: 69-84. PMID 27258188 DOI: 10.1016/J.Jmgm.2016.04.011 |
0.79 |
|
| 2016 |
Peng Q, Paton RS. Catalytic Control in Cyclizations: From Computational Mechanistic Understanding to Selectivity Prediction. Accounts of Chemical Research. PMID 27137131 DOI: 10.1021/Acs.Accounts.6B00084 |
0.595 |
|
| 2016 |
Choi H, Paton RS, Park H, Schofield CJ. Investigations on recyclisation and hydrolysis in avibactam mediated serine β-lactamase inhibition. Organic & Biomolecular Chemistry. PMID 27072755 DOI: 10.1039/C6Ob00353B |
0.305 |
|
| 2016 |
Madarász Á, Berta D, Paton RS. Development of a True Transition State Force Field (TTSFF) from Quantum Mechanical Calculations. Journal of Chemical Theory and Computation. PMID 26925858 DOI: 10.1021/Acs.Jctc.5B01237 |
0.31 |
|
| 2016 |
Johnston CP, Kothari A, Sergeieva T, Okovytyy SI, Jackson KE, Paton RS, Smith MD. Corrigendum: Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization. Nature Chemistry. 8: 281. PMID 26892563 DOI: 10.1038/Nchem.2457 |
0.705 |
|
| 2016 |
Simón L, Paton RS. QM/MM study on the enantioselectivity of spiroacetalization catalysed by an imidodiphosphoric acid catalyst: how confinement works. Organic & Biomolecular Chemistry. PMID 26833084 DOI: 10.1039/C6Ob00045B |
0.371 |
|
| 2016 |
Brand M, Measures AR, Wilson BG, Cortopassi WA, Alexander R, Höss M, Hewings DS, Rooney TP, Paton RS, Conway SJ. Correction to Small Molecule Inhibitors of Bromodomain-Acetyl-lysine Interactions. Acs Chemical Biology. PMID 26756254 DOI: 10.1021/Acschembio.5B01065 |
0.675 |
|
| 2016 |
Straker RN, Peng Q, Mekareeya A, Paton RS, Anderson EA. Computational ligand design in enantio- and diastereoselective ynamide [5+2] cycloisomerization. Nature Communications. 7: 10109. PMID 26728968 DOI: 10.1038/Ncomms10109 |
0.535 |
|
| 2016 |
Kim S, Evans TJ, Mukarakate C, Bu L, Beckham GT, Nimlos MR, Paton RS, Robichaud DJ. Furan Production from Glycoaldehyde over HZSM-5 Acs Sustainable Chemistry and Engineering. 4: 2615-2623. DOI: 10.1021/Acssuschemeng.6B00101 |
0.336 |
|
| 2015 |
Cortopassi WA, Simion R, Honsby CE, França TC, Paton RS. Dioxygen Binding in the Active Site of Histone Demethylase JMJD2A and the Role of the Protein Environment. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26663343 DOI: 10.1002/chem.201504536 |
0.757 |
|
| 2015 |
Cortopassi WA, Simion R, Honsby CE, França TC, Paton RS. Dioxygen Binding in the Active Site of Histone Demethylase JMJD2A and the Role of the Protein Environment. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26577067 DOI: 10.1002/Chem.201502983 |
0.774 |
|
| 2015 |
Jackson KE, Mortimer CL, Odell B, McKenna JM, Claridge TD, Paton RS, Hodgson DM. α- and α'-Lithiation-Electrophile Trapping of N-Thiopivaloyl and N-tert-Butoxythiocarbonyl α-Substituted Azetidines: Rationalization of the Regiodivergence Using NMR and Computation. The Journal of Organic Chemistry. 80: 9838-46. PMID 26401908 DOI: 10.1021/Acs.Joc.5B01804 |
0.651 |
|
| 2015 |
Sohn TI, Kim D, Paton RS. Substrate-Controlled Asymmetric Total Syntheses of Microcladallenes A, B, and C Based on the Proposed Structures. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26376617 DOI: 10.1002/Chem.201502592 |
0.305 |
|
| 2015 |
Han J, Lu Z, Flach AL, Paton RS, Hammond GB, Xu B. Role of Hydrogen Bonding Acceptors in Organo-Enamine Catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26178248 DOI: 10.1002/Chem.201502407 |
0.342 |
|
| 2015 |
Johnston CP, Kothari A, Sergeieva T, Okovytyy SI, Jackson KE, Paton RS, Smith MD. Erratum: Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization. Nature Chemistry. 7: 359. PMID 25803476 DOI: 10.1038/nchem.2210 |
0.657 |
|
| 2015 |
Kim S, Robichaud DJ, Beckham GT, Paton RS, Nimlos MR. Ethanol dehydration in HZSM-5 studied by density functional theory: evidence for a concerted process. The Journal of Physical Chemistry. A. 119: 3604-14. PMID 25802969 DOI: 10.1021/Jp513024Z |
0.341 |
|
| 2015 |
Gammack Yamagata AD, Datta S, Jackson KE, Stegbauer L, Paton RS, Dixon DJ. Enantioselective desymmetrization of prochiral cyclohexanones by organocatalytic intramolecular Michael additions to α,β-unsaturated esters. Angewandte Chemie (International Ed. in English). 54: 4899-903. PMID 25727215 DOI: 10.1002/Anie.201411924 |
0.705 |
|
| 2015 |
Simón L, Paton RS. Origins of asymmetric phosphazene organocatalysis: computations reveal a common mechanism for nitro- and phospho-aldol additions. The Journal of Organic Chemistry. 80: 2756-66. PMID 25658042 DOI: 10.1021/Acs.Joc.5B00063 |
0.431 |
|
| 2015 |
Brand M, Measures AM, Wilson BG, Cortopassi WA, Alexander R, Höss M, Hewings DS, Rooney TP, Paton RS, Conway SJ. Small molecule inhibitors of bromodomain-acetyl-lysine interactions. Acs Chemical Biology. 10: 22-39. PMID 25549280 DOI: 10.1021/Cb500996U |
0.714 |
|
| 2015 |
Tang B, Simion R, Paton RS. Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis Synlett. 26: 501-507. DOI: 10.1055/S-0034-1379893 |
0.769 |
|
| 2015 |
Cortopassi WA, Simion R, Honsby CE, França TCC, Paton RS. Cover Picture: Dioxygen Binding in the Active Site of Histone Demethylase JMJD2A and the Role of the Protein Environment (Chem. Eur. J. 52/2015) Chemistry - a European Journal. 21: 18865-18865. DOI: 10.1002/Chem.201585201 |
0.757 |
|
| 2014 |
Johnston CP, Kothari A, Sergeieva T, Okovytyy SI, Jackson KE, Paton RS, Smith MD. Catalytic enantioselective synthesis of indanes by a cation-directed 5-endo-trig cyclization. Nature Chemistry. 7: 171-7. PMID 25615672 DOI: 10.1038/nchem.2150 |
0.681 |
|
| 2014 |
Rooney TP, Filippakopoulos P, Fedorov O, Picaud S, Cortopassi WA, Hay DA, Martin S, Tumber A, Rogers CM, Philpott M, Wang M, Thompson AL, Heightman TD, Pryde DC, Cook A, ... Paton RS, et al. A series of potent CREBBP bromodomain ligands reveals an induced-fit pocket stabilized by a cation-π interaction. Angewandte Chemie (International Ed. in English). 53: 6126-30. PMID 24821300 DOI: 10.1002/Anie.201402750 |
0.722 |
|
| 2014 |
Knipe PC, Gredi?ak M, Cernijenko A, Paton RS, Smith MD. Phase-transfer-catalysed synthesis of pyrroloindolines and pyridoindolines by a hydrogen-bond-assisted isocyanide cyclization cascade. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 3005-9. PMID 24523244 DOI: 10.1002/Chem.201400192 |
0.395 |
|
| 2014 |
Paton RS. Dissecting non-covalent interactions in oxazaborolidinium catalyzed cycloadditions of maleimides. Organic & Biomolecular Chemistry. 12: 1717-20. PMID 24513964 DOI: 10.1039/C4Ob00009A |
0.342 |
|
| 2014 |
Daniels DS, Jones AS, Thompson AL, Paton RS, Anderson EA. Ligand bite angle-dependent palladium-catalyzed cyclization of propargylic carbonates to 2-alkynyl azacycles or cyclic dienamides. Angewandte Chemie (International Ed. in English). 53: 1915-20. PMID 24505010 DOI: 10.1002/Anie.201309162 |
0.346 |
|
| 2014 |
Hornsby CE, Paton RS. Natural product biosynthesis: It's all downhill from here. Nature Chemistry. 6: 88-9. PMID 24451579 DOI: 10.1038/Nchem.1852 |
0.32 |
|
| 2014 |
Pham HV, Paton RS, Ross AG, Danishefsky SJ, Houk KN. Intramolecular Diels-Alder reactions of cycloalkenones: stereoselectivity, Lewis acid acceleration, and halogen substituent effects. Journal of the American Chemical Society. 136: 2397-403. PMID 24410341 DOI: 10.1021/Ja410220W |
0.481 |
|
| 2014 |
Kim S, Ståhlberg J, Sandgren M, Paton RS, Beckham GT. Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases use a copper-oxyl, oxygen-rebound mechanism. Proceedings of the National Academy of Sciences of the United States of America. 111: 149-54. PMID 24344312 DOI: 10.1073/Pnas.1316609111 |
0.353 |
|
| 2014 |
Kim G, Sohn TI, Kim D, Paton RS. Asymmetric total synthesis of (+)-bermudenynol, a C15 Laurencia metabolite with a vinyl chloride containing oxocene skeleton, through intramolecular amide enolate alkylation. Angewandte Chemie (International Ed. in English). 53: 272-6. PMID 24227662 DOI: 10.1002/Anie.201308077 |
0.338 |
|
| 2014 |
Sturgeon MR, Kim S, Lawrence K, Paton RS, Chmely SC, Nimlos M, Foust TD, Beckham GT. A Mechanistic investigation of acid-catalyzed cleavage of aryl-ether linkages: Implications for lignin depolymerization in acidic environments Acs Sustainable Chemistry and Engineering. 2: 472-485. DOI: 10.1021/Sc400384W |
0.319 |
|
| 2013 |
Han J, Paton RS, Xu B, Hammond GB. Synthesis of Cyclic α-Aminophosphonates through Copper Catalyzed Enamine Activation. Synthesis. 45: 463-470. PMID 24501432 DOI: 10.1055/S-0032-1317984 |
0.332 |
|
| 2013 |
Liu F, Paton RS, Kim S, Liang Y, Houk KN. Diels-Alder reactivities of strained and unstrained cycloalkenes with normal and inverse-electron-demand dienes: activation barriers and distortion/interaction analysis. Journal of the American Chemical Society. 135: 15642-9. PMID 24044412 DOI: 10.1021/Ja408437U |
0.506 |
|
| 2013 |
Sladojevich F, Fuentes de Arriba ÁL, Ortín I, Yang T, Ferrali A, Paton RS, Dixon DJ. Mechanistic investigations into the enantioselective Conia-ene reaction catalyzed by cinchona-derived amino urea pre-catalysts and Cu(I). Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 14286-95. PMID 24009075 DOI: 10.1002/Chem.201200832 |
0.411 |
|
| 2013 |
Lin YA, Boutureira O, Lercher L, Bhushan B, Paton RS, Davis BG. Rapid cross-metathesis for reversible protein modifications via chemical access to Se-allyl-selenocysteine in proteins. Journal of the American Chemical Society. 135: 12156-9. PMID 23889088 DOI: 10.1021/Ja403191G |
0.334 |
|
| 2013 |
Zou L, Paton RS, Eschenmoser A, Newhouse TR, Baran PS, Houk KN. Enhanced reactivity in dioxirane C-H oxidations via strain release: a computational and experimental study. The Journal of Organic Chemistry. 78: 4037-48. PMID 23461537 DOI: 10.1021/Jo400350V |
0.584 |
|
| 2013 |
Hodgson DM, Charlton A, Paton RS, Thompson AL. C-alkylation of chiral tropane- and homotropane-derived enamines. The Journal of Organic Chemistry. 78: 1508-18. PMID 23356473 DOI: 10.1021/Jo3025972 |
0.346 |
|
| 2013 |
Jackson K, Jaffar SK, Paton RS. Computational organic chemistry Annual Reports On the Progress of Chemistry - Section B. 109: 235-255. DOI: 10.1039/c3oc90007j |
0.494 |
|
| 2013 |
Chmely SC, Kim S, Ciesielski PN, Jiménez-Osés G, Paton RS, Beckham GT. Mechanistic study of a Ru-xantphos catalyst for tandem alcohol dehydrogenation and reductive aryl-ether cleavage Acs Catalysis. 3: 963-974. DOI: 10.1021/Cs400110R |
0.627 |
|
| 2012 |
Kim MJ, Sohn TI, Kim D, Paton RS. 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. Journal of the American Chemical Society. 134: 20178-88. PMID 23194584 DOI: 10.1021/Ja310249U |
0.363 |
|
| 2012 |
Paton RS, Brown JM. Dinuclear palladium complexes--precursors or catalysts? Angewandte Chemie (International Ed. in English). 51: 10448-50. PMID 22968902 DOI: 10.1002/Anie.201205417 |
0.304 |
|
| 2012 |
Hotta K, Chen X, Paton RS, Minami A, Li H, Swaminathan K, Mathews II, Watanabe K, Oikawa H, Houk KN, Kim CY. Enzymatic catalysis of anti-Baldwin ring closure in polyether biosynthesis. Nature. 483: 355-8. PMID 22388816 DOI: 10.1038/Nature10865 |
0.474 |
|
| 2012 |
Goetz AE, Bronner SM, Cisneros JD, Melamed JM, Paton RS, Houk KN, Garg NK. An efficient computational model to predict the synthetic utility of heterocyclic arynes. Angewandte Chemie (International Ed. in English). 51: 2758-62. PMID 22307724 DOI: 10.1002/Anie.201108863 |
0.468 |
|
| 2011 |
Paton RS, Kim S, Ross AG, Danishefsky SJ, Houk KN. Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. Angewandte Chemie (International Ed. in English). 50: 10366-8. PMID 21910195 DOI: 10.1002/Anie.201103998 |
0.449 |
|
| 2011 |
Liu LP, Malhotra D, Jin Z, Paton RS, Houk KN, Hammond GB. 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. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 10690-9. PMID 21830243 DOI: 10.1002/Chem.201101448 |
0.492 |
|
| 2011 |
Paton RS, Steinhardt SE, Vanderwal CD, Houk KN. Unraveling the mechanism of cascade reactions of zincke aldehydes. Journal of the American Chemical Society. 133: 3895-905. PMID 21351736 DOI: 10.1021/Ja107988B |
0.499 |
|
| 2011 |
Hodgson DM, Stent MAH, Paton RS, Wilson FX. Unusual base-induced rearrangement of exo-9-oxabicyclo[4.2.1]non-7-ene oxide to exo-8-hydroxybicyclo[3.3.0]octan-2-one Heterocycles. 84: 625-635. DOI: 10.3987/Com-11-S(P)35 |
0.325 |
|
| 2011 |
Hotta K, Chen X, Paton RS, Minami A, Li H, Swaminathan K, Mathews I, Watanabe K, Oikawa H, Houk KN, Kim C-. Structural study of enzymatic anti-Baldwin ring closure in polyether formation Acta Crystallographica Section a Foundations of Crystallography. 67: C216-C216. DOI: 10.1107/S0108767311094645 |
0.414 |
|
| 2011 |
Kim S, Chmely SC, Nimlos MR, Bomble YJ, Foust TD, Paton RS, Beckham GT. Computational study of bond dissociation enthalpies for a large range of native and modified Lignins Journal of Physical Chemistry Letters. 2: 2846-2852. DOI: 10.1021/Jz201182W |
0.373 |
|
| 2011 |
Kiss G, Johnson SA, Nosrati G, Çelebi-Ölçüm N, Kim S, Paton R, Houk KN. Computational Design of New Protein Catalysts Modeling of Molecular Properties. 241-266. DOI: 10.1002/9783527636402.ch16 |
0.754 |
|
| 2010 |
Im GY, Bronner SM, Goetz AE, Paton RS, Cheong PH, Houk KN, Garg NK. Indolyne experimental and computational studies: synthetic applications and origins of selectivities of nucleophilic additions. Journal of the American Chemical Society. 132: 17933-44. PMID 21114321 DOI: 10.1021/Ja1086485 |
0.684 |
|
| 2010 |
Liu LP, Malhotra D, Paton RS, Houk KN, Hammond GB. The [4+2], not [2+2], mechanism occurs in the gold-catalyzed intramolecular oxygen transfer reaction of 2-alkynyl-1,5-diketones. Angewandte Chemie (International Ed. in English). 49: 9132-5. PMID 21031394 DOI: 10.1002/Anie.201005514 |
0.473 |
|
| 2010 |
Paton RS, Mackey JL, Kim WH, Lee JH, Danishefsky SJ, Houk KN. Origins of stereoselectivity in the trans Diels-Alder paradigm. Journal of the American Chemical Society. 132: 9335-40. PMID 20557046 DOI: 10.1021/Ja1009162 |
0.485 |
|
| 2010 |
Cheong PH, Paton RS, Bronner SM, Im GY, Garg NK, Houk KN. Indolyne and aryne distortions and nucleophilic regioselectivites. Journal of the American Chemical Society. 132: 1267-9. PMID 20058924 DOI: 10.1021/Ja9098643 |
0.672 |
|
| 2010 |
Hayden AE, Paton RS, Becker J, Lim YH, Nicolaou KC, Houk KN. Origins of regioselectivity of Diels-Alder reactions for the synthesis of bisanthraquinone antibiotic BE-43472B. The Journal of Organic Chemistry. 75: 922-8. PMID 20027998 DOI: 10.1021/Jo902572Y |
0.458 |
|
| 2009 |
Paton RS, Maseras F. Gold(I)-catalyzed intermolecular hydroalkoxylation of allenes: a DFT study. Organic Letters. 11: 2237-40. PMID 19400580 DOI: 10.1021/Ol9004646 |
0.556 |
|
| 2009 |
Paton RS, Goodman JM. Hydrogen bonding and pi-stacking: how reliable are force fields? A critical evaluation of force field descriptions of nonbonded interactions. Journal of Chemical Information and Modeling. 49: 944-55. PMID 19309094 DOI: 10.1021/Ci900009F |
0.529 |
|
| 2009 |
Paton RS, Goodman JM, Pellegrinet SC. Mechanistic insights into the catalytic asymmetric allylboration of ketones: Brønsted or Lewis acid activation? Organic Letters. 11: 37-40. PMID 19035769 DOI: 10.1021/Ol802270U |
0.743 |
|
| 2008 |
Paton RS, Goodman JM, Pellegrinet SC. Theoretical study of the asymmetric conjugate alkenylation of enones catalyzed by binaphthols. The Journal of Organic Chemistry. 73: 5078-89. PMID 18543992 DOI: 10.1021/Jo8007463 |
0.772 |
|
| 2008 |
Smith SG, Paton RS, Burton JW, Goodman JM. Stereostructure assignment of flexible five-membered rings by GIAO 13C NMR calculations: prediction of the stereochemistry of elatenyne. The Journal of Organic Chemistry. 73: 4053-62. PMID 18471017 DOI: 10.1021/Jo8003138 |
0.548 |
|
| 2008 |
Paton RS, Goodman JM. 1,5-anti stereocontrol in the boron-mediated aldol reactions of beta-alkoxy methyl ketones: the role of the formyl hydrogen bond. The Journal of Organic Chemistry. 73: 1253-63. PMID 18211083 DOI: 10.1021/Jo701849X |
0.589 |
|
| 2007 |
Paton RS, Goodman JM. Exploration of the accessible chemical space of acyclic alkanes. Journal of Chemical Information and Modeling. 47: 2124-32. PMID 17949070 DOI: 10.1021/Ci700246B |
0.503 |
|
| 2007 |
Goodman JM, Paton RS. Enantioselectivity in the boron aldol reactions of methyl ketones. Chemical Communications (Cambridge, England). 2124-6. PMID 17520110 DOI: 10.1039/B704786J |
0.554 |
|
| 2006 |
Paton RS, Goodman JM. Understanding the origins of remote asymmetric induction in the boron aldol reactions of beta-alkoxy methyl ketones. Organic Letters. 8: 4299-302. PMID 16956211 DOI: 10.1021/Ol061671Q |
0.559 |
|
| Show low-probability matches. |
