| Year |
Citation |
Score |
| 2023 |
van Teijlingen A, Smith MC, Tuttle T. Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family. Accounts of Chemical Research. 56: 644-654. PMID 36866851 DOI: 10.1021/acs.accounts.2c00810 |
0.749 |
|
| 2023 |
Ramakrishnan M, van Teijlingen A, Tuttle T, Ulijn RV. Integrating Computation, Experiment, and Machine Learning in the Design of Peptide-Based Supramolecular Materials and Systems. Angewandte Chemie (International Ed. in English). PMID 36725681 DOI: 10.1002/anie.202218067 |
0.749 |
|
| 2022 |
Banerjee S, Macdonald PA, Orr SA, Kennedy AR, van Teijlingen A, Robertson SD, Tuttle T, Mulvey RE. Hydrocarbon Soluble Alkali-Metal-Aluminium Hydride Surrog[ATES]. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35811447 DOI: 10.1002/chem.202201085 |
0.736 |
|
| 2022 |
van Teijlingen A, Swanson HWA, Lau KHA, Tuttle T. Constant pH Coarse-Grained Molecular Dynamics with Stochastic Charge Neutralization. The Journal of Physical Chemistry Letters. 13: 4046-4051. PMID 35486900 DOI: 10.1021/acs.jpclett.2c00544 |
0.745 |
|
| 2021 |
Kerr WJ, Knox GJ, Reid M, Tuttle T. Catalyst design in C-H activation: a case study in the use of binding free energies to rationalise intramolecular directing group selectivity in iridium catalysis. Chemical Science. 12: 6747-6755. PMID 34040751 DOI: 10.1039/d1sc01509e |
0.734 |
|
| 2021 |
van Teijlingen A, Tuttle T. Beyond Tripeptides Two-Step Active Machine Learning for Very Large Data sets. Journal of Chemical Theory and Computation. PMID 33904712 DOI: 10.1021/acs.jctc.1c00159 |
0.753 |
|
| 2020 |
Kerr WJ, Knox GJ, Reid M, Tuttle T, Bergare J, Bragg RA. Computationally-Guided Development of a Chelated NHC-P Iridium(I) Complex for the Directed Hydrogen Isotope Exchange of Aryl Sulfones. Acs Catalysis. 10: 11120-11126. PMID 33123410 DOI: 10.1021/Acscatal.0C03031 |
0.761 |
|
| 2020 |
van Teijlingen A, Tuttle T, Bouchachia H, Sathian B, van Teijlingen E. Artificial Intelligence and Health in Nepal. Nepal Journal of Epidemiology. 10: 915-918. PMID 33042595 DOI: 10.3126/nje.v10i3.31649 |
0.727 |
|
| 2020 |
Cochrane AR, Kennedy AR, Kerr WJ, Lindsay DM, Reid M, Tuttle T. The Natural Product Lepidiline A as an N-Heterocyclic Carbene Ligand Precursor in Complexes of the Type [Ir(cod)(NHC)PPh3)]X: Synthesis, Characterisation, and Application in Hydrogen Isotope Exchange Catalysis Catalysts. 10: 161. DOI: 10.3390/Catal10020161 |
0.698 |
|
| 2019 |
Mulvey RE, Pollard V, Young A, McLellan R, Kennedy A, Tuttle T. Lithium-Aluminate-Catalyzed Hydrophosphination Applications. Angewandte Chemie (International Ed. in English). PMID 31260154 DOI: 10.1002/Anie.201906807 |
0.358 |
|
| 2019 |
Murphy J, Rohrbach S, Smith AJ, Pang JH, Poole DL, Tuttle T, Chiba S. Concerted Nucleophilic Aromatic Substitution Reactions. Angewandte Chemie (International Ed. in English). PMID 30990931 DOI: 10.1002/Anie.201902216 |
0.323 |
|
| 2019 |
Palumbo F, Rohrbach S, Tuttle T, Murphy JA. N‐Silylation of Amines Mediated by Et
3
SiH/KO
t
Bu Helvetica Chimica Acta. 102. DOI: 10.1002/Hlca.201900235 |
0.361 |
|
| 2018 |
Barham JP, Dalton SE, Allison M, Nocera G, Young A, John MP, McGuire TM, Campos S, Tuttle T, Murphy JA. Dual Roles for Potassium Hydride in Haloarene Reduction: CSAr and SET Reduction via Organic Electron Donors Formed in Benzene. Journal of the American Chemical Society. PMID 30119605 DOI: 10.1021/Jacs.8B07632 |
0.334 |
|
| 2018 |
Nocera G, Young A, Palumbo F, Emery KJ, Coulthard G, McGuire TM, Tuttle T, Murphy JA. Electron Transfer Reactions: KOtBu (but not NaOtBu) Photo-reduces Benzophenone, under Activation by Visible Light. Journal of the American Chemical Society. PMID 29996048 DOI: 10.1021/Jacs.8B06089 |
0.31 |
|
| 2018 |
Lampel A, Ulijn RV, Tuttle T. Guiding principles for peptide nanotechnology through directed discovery. Chemical Society Reviews. 47: 3737-3758. PMID 29748676 DOI: 10.1039/C8Cs00177D |
0.328 |
|
| 2018 |
Aboagye E, Aigbirhio F, Allott L, Anderson E, Artelsmair M, Audisio D, Audisio J, Bragg R, Brindle K, Bulat F, Bürli R, Carroll L, Chapdelaine M, Collins S, Cortezon-Tamarit F, ... ... Tuttle T, et al. Abstracts of the 26th international isotope society (UK group) symposium: Synthesis & applications of labelled compounds 2017 Journal of Labelled Compounds and Radiopharmaceuticals. 61: 1115-1130. DOI: 10.1002/jlcr.3641 |
0.449 |
|
| 2017 |
Murphy J, Smith A, Young A, Rohrbach S, O'Connor E, Allison M, Wang HS, Poole D, Tuttle T. Electron Transfer and Hydride Transfer Pathways in the Stoltz-Grubbs Reducing System (KOtBu-Et3SiH). Angewandte Chemie (International Ed. in English). PMID 28892585 DOI: 10.1002/Anie.201707914 |
0.333 |
|
| 2017 |
Abul-Haija YM, Scott GG, Sahoo JK, Tuttle T, Ulijn RV. Cooperative, ion-sensitive co-assembly of tripeptide hydrogels. Chemical Communications (Cambridge, England). PMID 28805225 DOI: 10.1039/C7Cc04796G |
0.302 |
|
| 2017 |
Sasselli IR, Moreira IP, Ulijn RV, Tuttle T. Molecular dynamics simulations reveal disruptive self-assembly in dynamic peptide libraries. Organic & Biomolecular Chemistry. PMID 28745772 DOI: 10.1039/C7Ob01268C |
0.314 |
|
| 2017 |
Kerr WJ, Reid M, Tuttle T. Iridium-catalyzed Formyl-selective Deuteration of Aldehydes. Angewandte Chemie (International Ed. in English). PMID 28510987 DOI: 10.1002/Anie.201702997 |
0.752 |
|
| 2017 |
Emery KJ, Murphy JA, Tuttle T. Effect of solvent on radical cyclisation pathways: SRN1 vs. aryl-aryl bond forming mechanisms. Organic & Biomolecular Chemistry. PMID 28050609 DOI: 10.1039/C6Ob02684B |
0.333 |
|
| 2017 |
Kerr WJ, Lindsay DM, Owens PK, Reid M, Tuttle T, Campos S. Site-Selective Deuteration of N-Heterocycles via Iridium-Catalyzed Hydrogen Isotope Exchange Acs Catalysis. 7: 7182-7186. DOI: 10.1021/Acscatal.7B02682 |
0.748 |
|
| 2017 |
Cumine F, Young A, Reissig H, Tuttle T, Murphy JA. A Computational Study of Anionic Alkoxide-Allene and Amide-Allene Cyclizations European Journal of Organic Chemistry. 2017: 6867-6871. DOI: 10.1002/Ejoc.201701381 |
0.331 |
|
| 2016 |
Sasselli IR, Pappas CG, Matthews E, Wang T, Hunt NT, Ulijn RV, Tuttle T. Using experimental and computational energy equilibration to understand hierarchical self-assembly of Fmoc-dipeptide amphiphiles. Soft Matter. PMID 27722469 DOI: 10.1039/C6Sm01737A |
0.36 |
|
| 2016 |
Moreira IP, Sasselli IR, Cannon DA, Hughes M, Lamprou DA, Tuttle T, Ulijn RV. Enzymatically activated emulsions stabilised by interfacial nanofibre networks. Soft Matter. 12: 2623-31. PMID 26905042 DOI: 10.1039/C5Sm02730F |
0.313 |
|
| 2016 |
Ramos Sasselli I, Ulijn RV, Tuttle T. CHARMM force field parameterization protocol for self-assembling peptide amphiphiles: the Fmoc moiety. Physical Chemistry Chemical Physics : Pccp. 18: 4659-67. PMID 26794129 DOI: 10.1039/C5Cp06770G |
0.353 |
|
| 2016 |
Anderson GM, Cameron I, Murphy JA, Tuttle T. Predicting the reducing power of organic super electron donors Rsc Advances. 6: 11335-11343. DOI: 10.1039/C5Ra26483A |
0.329 |
|
| 2016 |
Emery KJ, Tuttle T, Kennedy AR, Murphy JA. C–C bond-forming reactions of ground-state aryl halides under reductive activation Tetrahedron. 72: 7875-7887. DOI: 10.1016/J.Tet.2016.05.083 |
0.32 |
|
| 2015 |
Devlin J, Kerr WJ, Lindsay DM, McCabe TJ, Reid M, Tuttle T. Iridium-Catalysed ortho-Directed Deuterium Labelling of Aromatic Esters-An Experimental and Theoretical Study on Directing Group Chemoselectivity. Molecules (Basel, Switzerland). 20: 11676-98. PMID 26121395 DOI: 10.3390/Molecules200711676 |
0.753 |
|
| 2015 |
Frederix PWJM, Scott GG, Abul-Haija YM, Kalafatovic D, Pappas CG, Javid N, Hunt NT, Ulijn RV, Tuttle T. Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels Nature Chemistry. 7: 30-37. PMID 25515887 DOI: 10.1038/Nchem.2122 |
0.313 |
|
| 2015 |
Kerr WJ, Reid M, Tuttle T. Iridium-Catalyzed C-H Activation and Deuteration of Primary Sulfonamides: An Experimental and Computational Study Acs Catalysis. 5: 402-410. DOI: 10.1021/Cs5015755 |
0.764 |
|
| 2015 |
Tuttle T. Computational Approaches to Understanding the Self-assembly of Peptide-based Nanostructures Israel Journal of Chemistry. 55: 724-734. DOI: 10.1002/Ijch.201400188 |
0.335 |
|
| 2014 |
Maeda Y, Javid N, Duncan K, Birchall L, Gibson KF, Cannon D, Kanetsuki Y, Knapp C, Tuttle T, Ulijn RV, Matsui H. Discovery of catalytic phages by biocatalytic self-assembly. Journal of the American Chemical Society. 136: 15893-6. PMID 25343575 DOI: 10.1021/Ja509393P |
0.357 |
|
| 2014 |
Cochrane AR, Idziak C, Kerr WJ, Mondal B, Paterson LC, Tuttle T, Andersson S, Nilsson GN. Practically convenient and industrially-aligned methods for iridium-catalysed hydrogen isotope exchange processes. Organic & Biomolecular Chemistry. 12: 3598-603. PMID 24756541 DOI: 10.1039/C4Ob00465E |
0.595 |
|
| 2014 |
Young A, Vincent MA, Hillier IH, Percy JM, Tuttle T. Forming a ruthenium isomerisation catalyst from Grubbs II: a DFT study. Dalton Transactions (Cambridge, England : 2003). 43: 8493-8. PMID 24756359 DOI: 10.1039/C4Dt00464G |
0.36 |
|
| 2014 |
O'Sullivan S, Doni E, Tuttle T, Murphy JA. Metal-free reductive cleavage of C-N and S-N bonds by photoactivated electron transfer from a neutral organic donor. Angewandte Chemie (International Ed. in English). 53: 474-8. PMID 24311295 DOI: 10.1002/Anie.201306543 |
0.317 |
|
| 2014 |
Mondal B, Wilkes RD, Percy JM, Tuttle T, Black RJ, North C. Towards a quantitative understanding of palladium metal scavenger performance: an electronic structure calculation approach. Dalton Transactions (Cambridge, England : 2003). 43: 469-78. PMID 24113810 DOI: 10.1039/C3Dt52282B |
0.312 |
|
| 2014 |
Zhou S, Anderson GM, Mondal B, Doni E, Ironmonger V, Kranz M, Tuttle T, Murphy JA. Organic super-electron-donors: Initiators in transition metal-free haloarene-arene coupling Chemical Science. 5: 476-482. DOI: 10.1039/C3Sc52315B |
0.311 |
|
| 2014 |
Frederix PWJM, Adamczyk K, Wright JA, Tuttle T, Ulijn RV, Pickett CJ, Hunt NT. Investigation of the ultrafast dynamics occurring during unsensitized photocatalytic h2 evolution by an [FeFe]-hydrogenase subsite analogue Organometallics. 33: 5888-5896. DOI: 10.1021/Om500521W |
0.357 |
|
| 2014 |
Brown JA, Cochrane AR, Irvine S, Kerr WJ, Mondal B, Parkinson JA, Paterson LC, Reid M, Tuttle T, Andersson S, Nilsson GN. Inside Cover: The Synthesis of Highly Active Iridium(I) Complexes and their Application in Catalytic Hydrogen Isotope Exchange (Adv. Synth. Catal. 17/2014) Advanced Synthesis & Catalysis. 356: 3474-3474. DOI: 10.1002/Adsc.201401054 |
0.763 |
|
| 2014 |
Brown JA, Cochrane AR, Irvine S, Kerr WJ, Mondal B, Parkinson JA, Paterson LC, Reid M, Tuttle T, Andersson S, Nilsson GN. The synthesis of highly active iridium(I) complexes and their application in catalytic hydrogen isotope exchange Iubmb Life. 356: 3551-3562. DOI: 10.1002/Adsc.201400730 |
0.763 |
|
| 2013 |
Fleming S, Debnath S, Frederix PW, Tuttle T, Ulijn RV. Aromatic peptide amphiphiles: significance of the Fmoc moiety. Chemical Communications (Cambridge, England). 49: 10587-9. PMID 24091467 DOI: 10.1039/C3Cc45822A |
0.302 |
|
| 2013 |
Doni E, Mondal B, O'Sullivan S, Tuttle T, Murphy JA. Overturning established chemoselectivities: selective reduction of arenes over malonates and cyanoacetates by photoactivated organic electron donors. Journal of the American Chemical Society. 135: 10934-7. PMID 23859883 DOI: 10.1021/Ja4050168 |
0.324 |
|
| 2013 |
Fleming S, Frederix PW, Ramos Sasselli I, Hunt NT, Ulijn RV, Tuttle T. Assessing the utility of infrared spectroscopy as a structural diagnostic tool for β-sheets in self-assembling aromatic peptide amphiphiles. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 9510-5. PMID 23805919 DOI: 10.1021/La400994V |
0.307 |
|
| 2013 |
Cannon D, Tuttle T, Koller J, Plesničar B. Stabilization of metastable hydrogen trioxide (HOOOH) and the hydrotrioxyl radical (HOOO) by complexation with sulfuric acid. A theoretical study Computational and Theoretical Chemistry. 1010: 19-24. DOI: 10.1016/J.Comptc.2013.01.009 |
0.322 |
|
| 2012 |
Hughes M, Frederix PWJM, Raeburn J, Birchall LS, Sadownik J, Coomer FC, Lin IH, Cussen EJ, Hunt NT, Tuttle T, Webb SJ, Adams DJ, Ulijn RV. Sequence/structure relationships in aromatic dipeptide hydrogels formed under thermodynamic control by enzyme-assisted self-assembly Soft Matter. 8: 5595-5602. DOI: 10.1039/C2Sm25224D |
0.33 |
|
| 2012 |
Jolly PI, Zhou S, Thomson DW, Garnier J, Parkinson JA, Tuttle T, Murphy JA. Imidazole-derived carbenes and their elusive tetraazafulvalene dimers Chemical Science. 3: 1675-1679. DOI: 10.1039/C2Sc20054F |
0.322 |
|
| 2011 |
Dodds CA, Spicer MD, Tuttle T. Tungsten(VI) N-Heterocyclic Carbene Complexes: Synthetic, Structural, and Computational Study. Organometallics. 30: 6262-6269. PMID 24882916 DOI: 10.1021/Om200838F |
0.361 |
|
| 2011 |
Frederix PW, Ulijn RV, Hunt NT, Tuttle T. Virtual Screening for Dipeptide Aggregation: Toward Predictive Tools for Peptide Self-Assembly. The Journal of Physical Chemistry Letters. 2: 2380-2384. PMID 23795243 DOI: 10.1021/Jz2010573 |
0.314 |
|
| 2011 |
Hughes M, Xu H, Frederix PWJM, Smith AM, Hunt NT, Tuttle T, Kinloch IA, Ulijn RV. Biocatalytic self-assembly of 2D peptide-based nanostructures Soft Matter. 7: 10032. DOI: 10.1039/C1Sm05981E |
0.325 |
|
| 2011 |
Birchall LS, Roy S, Jayawarna V, Hughes M, Irvine E, Okorogheye GT, Saudi N, de Santis E, Tuttle T, Edwards AA, Ulijn RV. Exploiting CH-π interactions in supramolecular hydrogels of aromatic carbohydrate amphiphiles Chemical Science. 2: 1349-1355. DOI: 10.1039/C0Sc00621A |
0.303 |
|
| 2010 |
Findlay NJ, Park SR, Schoenebeck F, Cahard E, Zhou SZ, Berlouis LE, Spicer MD, Tuttle T, Murphy JA. Reductions of challenging organic substrates by a nickel complex of a noninnocent crown carbene ligand. Journal of the American Chemical Society. 132: 15462-4. PMID 20961105 DOI: 10.1021/Ja107703N |
0.317 |
|
| 2009 |
Clegg W, Conway B, García-Alvarez P, Kennedy AR, Mulvey RE, Russo L, Sassmannshausen J, Tuttle T. Structural tracking of the potassium-mediated magnesiation of anisole. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 10702-6. PMID 19746488 DOI: 10.1002/Chem.200901897 |
0.315 |
|
| 2009 |
Tuttle T. Averaging semiempirical NMR chemical shifts: dynamic effects on the subpicosecond time scale. The Journal of Physical Chemistry. A. 113: 11723-33. PMID 19630417 DOI: 10.1021/Jp902875D |
0.308 |
|
| 2009 |
Tuttle T, Wang D, Thiel W, Köhler J, Hofmann M, Weis J. Ruthenium based catalysts for olefin hydrosilylation: dichloro(p-cymene)ruthenium and related complexes. Dalton Transactions (Cambridge, England : 2003). 5894-901. PMID 19623390 DOI: 10.1039/B820115C |
0.353 |
|
| 2008 |
Bergant A, Cerkovnik J, Plesnicar B, Tuttle T. An efficient methyltrioxorhenium(VII)-catalyzed transformation of hydrotrioxides (ROOOH) into dihydrogen trioxide (HOOOH). Journal of the American Chemical Society. 130: 14086-7. PMID 18834116 DOI: 10.1021/Ja806411A |
0.351 |
|
| 2008 |
Kovacic S, Koller J, Cerkovnik J, Tuttle T, Plesnicar B. Dihydrogen trioxide clusters, (HOOOH)n (n = 2-4), and the hydrogen-bonded complexes of HOOOH with acetone and dimethyl ether: implications for the decomposition of HOOOH. The Journal of Physical Chemistry. A. 112: 8129-35. PMID 18698743 DOI: 10.1021/Jp8036928 |
0.327 |
|
| 2008 |
Kraka E, Tuttle T, Cremer D. Design of a new warhead for the natural enediyne dynemicin A. An increase of biological activity. The Journal of Physical Chemistry. B. 112: 2661-70. PMID 18269275 DOI: 10.1021/Jp0773536 |
0.306 |
|
| 2007 |
Kraka E, Tuttle T, Cremer D. The reactivity of calicheamicin gamma(1)(I) in the minor groove of DNA: the decisive role of the environment. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 9256-69. PMID 17694527 DOI: 10.1002/Chem.200700504 |
0.308 |
|
| 2007 |
Tuttle T, Kraka E, Thiel W, Cremer D. A QM/MM study of the Bergman reaction of dynemicin A in the minor groove of DNA. The Journal of Physical Chemistry. B. 111: 8321-8. PMID 17585802 DOI: 10.1021/Jp072373T |
0.305 |
|
| 2007 |
Murphy JA, Zhou SZ, Thomson DW, Schoenebeck F, Mahesh M, Park SR, Tuttle T, Berlouis LE. The generation of aryl anions by double electron transfer to aryl iodides from a neutral ground-state organic super-electron donor. Angewandte Chemie (International Ed. in English). 46: 5178-83. PMID 17546715 DOI: 10.1002/Anie.200700554 |
0.319 |
|
| 2007 |
Fürstner A, Kirk D, Fenster MD, Aïssa C, De Souza D, Nevado C, Tuttle T, Thiel W, Müller O. Latrunculin analogues with improved biological profiles by "diverted total synthesis": preparation, evaluation, and computational analysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 135-49. PMID 17091521 DOI: 10.1002/Chem.200601136 |
0.354 |
|
| 2007 |
Tuttle T, Wang D, Thiel W, Köhler J, Hofmann M, Weis J. Mechanism of olefin hydrosilylation catalyzed by [RuCl(NCCH3)5]+: A DFT study Journal of Organometallic Chemistry. 692: 2282-2290. DOI: 10.1016/J.Jorganchem.2007.01.060 |
0.331 |
|
| 2005 |
Tuttle T, Kraka E, Cremer D. Docking, triggering, and biological activity of dynemicin A in DNA: a computational study. Journal of the American Chemical Society. 127: 9469-84. PMID 15984874 DOI: 10.1021/Ja046251F |
0.313 |
|
| 2004 |
Tuttle T, Cerkovnik J, Plesnicar B, Cremer D. Hemiortho esters and hydrotrioxides as the primary products in the low-temperature ozonation of cyclic acetals: an experimental and theoretical investigation. Journal of the American Chemical Society. 126: 16093-104. PMID 15584745 DOI: 10.1021/Ja0450511 |
0.321 |
|
| 2003 |
Plesnicar B, Tuttle T, Cerkovnik J, Koller J, Cremer D. Mechanism of formation of hydrogen trioxide (HOOOH) in the ozonation of 1,2-diphenylhydrazine and 1,2-dimethylhydrazine: an experimental and theoretical investigation. Journal of the American Chemical Society. 125: 11553-64. PMID 13129358 DOI: 10.1021/Ja036801U |
0.32 |
|
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