35. Machine Learning Activation Energies of Chemical Reactions
Toby Lewis-Atwell, Piers A. Townsend and Matthew N. Grayson*
Wiley Interdiscip. Rev. Comput. Mol. Sci. 2021, accepted manuscript
34. Chiral Phosphoric Acid Catalysis: The Terada Model Revisited
Matthew N. Grayson*
J. Org. Chem. 2021, 86, 13631
33. A molecular communication channel consisting of a single reversible chain of hydrogen bonds in a conformationally flexible oligomer
David T. J. Morris, Steven M. Wales, David P. Tilly, Elliot H. E. Farrar, Matthew N. Grayson, John W. Ward and Jonathan Clayden
Chem, 2021, 7, 2460
32. ω-Alkenylallylboronates: Design, Synthesis and Application to the Asymmetric Allylation / RCM Tandem Sequence
Francisco Garnes-Portolés, Rubén Miguélez, Matthew N. Grayson and Pablo Barrio
Eur. J. Org. Chem., 2021, 24, 3492
31. Understanding the mechanism of the chiral phosphoric acid-catalyzed aza-Cope rearrangement
Bruno N. Falcone and Matthew N. Grayson*
Org. Biomol. Chem., 2021, 19, 3656
30. Density Functional Theory in the Prediction of Mutagenicity: A Perspective
Piers A. Townsend and Matthew N. Grayson*
Chem. Res. Toxicol., 2021, 34, 179
Part of the Special Issue in Computational Toxicology
29. Control of Crystallinity and Stereocomplexation of Synthetic Carbohydrate Polymers from D‐ and L‐Xylose
Thomas M. McGuire, Jessica Bowles, Edward Deane, Elliot H. E. Farrar, Matthew N. Grayson and Antoine Buchard
Angew. Chem. Int. Ed., 2021, 60, 4524
Highlighted as Very Important Paper
28. Comparisons of Different Force Fields in Conformational Analysis and Searching of Organic Molecules: A Review
Toby Lewis-Atwell, Piers A. Townsend and Matthew N. Grayson*
Tetrahedron, 2021, 79, 131865 (special issue dedicated to the achievements of Prof Jonathan Williams)
27. Computational Studies of Chiral Hydroxyl Carboxylic Acids: The Allylboration of Aldehydes
Elliot H. E. Farrar and Matthew N. Grayson*
J. Org. Chem. 2020, 85, 15449
26. Reactivity Prediction in Aza-Michael Additions without Transition State Calculations: The Ames Test for Mutagenicity
Piers A. Townsend and Matthew N. Grayson*
Chem. Commun., 2020, 56, 13661
25. Enantioselective Total Synthesis of (–)-Finerenone using Asymmetric Transfer Hydrogenation
Andreas Lerchen, Narasimhulu Gandhamsetty, Elliot H. E. Farrar, Nils Winter, Johannes Platzek, Matthew N. Grayson* and Varinder K. Aggarwal*
Angew. Chem. Int. Ed., 2020, 59, 23107
Highlighted as Hot Paper
24. Formicamycin biosynthesis involves a unique reductive ring contraction
Zhiwei Qin, Rebecca Devine, Thomas J. Booth, Elliot H. E. Farrar, Matthew N. Grayson, Matthew I. Hutchings and Barrie Wilkinson
Chem. Sci., 2020, 11, 8125
23. Photocatalytic α‐Tertiary Amine Synthesis via C–H Alkylation of Unmasked Primary Amines
Alison S. H. Ryder, William B. Cunningham, George Ballantyne, Tom Mules, Anna G. Kinsella, Jacob Turner-Dore, Catherine M. Alder, Lee J. Edwards, Blandine S. J. McKay, Matthew N. Grayson and Alexander J. Cresswell
Angew. Chem. Int. Ed., 2020, 59, 14986
22. Enantioselective S‐H Insertion Reactions of α‐Carbonyl Sulfoxonium Ylides
Patrícia B. Momo, Alexandria N. Leveille, Elliot H. E. Farrar, Matthew N. Grayson, Anita E. Mattson and Antonio C. B. Burtoloso
Angew. Chem. Int. Ed., 2020, 59, 15554
21. Highly Sensitive Real-Time Isotopic Quantification of Water by ATR-FTIR
Cei B. Provis-Evans, Elliot H. E. Farrar, Matthew N. Grayson, Ruth L. Webster and Alfred Hill
Anal. Chem. 2020, 92, 7500
20. Functionalized Double Strain-Promoted Stapled Peptides for Inhibiting the p53-MDM2 Interaction
Krishna Sharma, Alexander V. Strizhak, Elaine Fowler, Wenshu Xu, Ben Chappell, Hannah F. Sore, Warren R. J. D. Galloway, Matthew N. Grayson,* Yu Heng Lau,* Laura S. Itzhaki* and David R. Spring*
ACS Omega, 2020, 5, 1157
19. Density Functional Theory Transition-State Modeling for the Prediction of Ames Mutagenicity in 1,4 Michael Acceptors
Piers A. Townsend and Matthew N. Grayson*
J. Chem. Inf. Model., 2019, 59, 5099
18. Vinylidene Homologation of Boronic Esters and its Application to the Synthesis of the Proposed Structure of Machillene
James M. Fordham, Matthew N. Grayson* and Varinder K. Aggarwal*
Angew. Chem. Int. Ed., 2019, 58, 15268
17. Mechanistic Insights into a Chiral Phosphoric Acid-Catalyzed Asymmetric Pinacol Rearrangement
Bruno N. Falcone, Matthew N. Grayson* and Juan B. Rodriguez
J. Org. Chem. 2018, 83, 14683
16. Recent Developments and Applications of the Chiral Brønsted Acid Catalyzed Allylboration of Carbonyl Compounds
Daniel M. Sedgwick, Matthew N. Grayson, Santos Fustero and Pablo Barrio
Synthesis 2018, 50, 1935
15. Mechanism and Origins of Stereoselectivity in the Cinchona Thiourea- and Squaramide-Catalyzed Asymmetric Michael Addition of Nitroalkanes to Enones
Matthew N. Grayson*
J. Org. Chem. 2017, 82, 4396
Postdoctoral and PhD publications
14. Using Transition State Modelling to Predict Mutagenicity for Michael Acceptors
Timothy E. H. Allen,∥ Matthew N. Grayson,∥ Jonathan M. Goodman, Steve Gutsell and Paul J. Russell
∥ = Authors contributed equally
J. Chem. Inf. Model. 2018, 58, 1266
13. Chronology of CH···O Hydrogen Bonding from Molecular Dynamics Studies of the Phosphoric Acid-Catalyzed Allylboration of Benzaldehyde
Matthew N. Grayson,∥ Zhongyue Yang∥ and K. N. Houk
∥ = Authors contributed equally
J. Am. Chem. Soc. 2017, 139, 7717
12. Cinchona Urea-Catalyzed Asymmetric Sulfa-Michael Reactions: The Brønsted Acid− Hydrogen Bonding Model
Matthew N. Grayson and K. N. Houk
J. Am. Chem. Soc. 2016, 138, 9041
11. Chiral Brønsted Acid-Catalyzed Asymmetric Allyl (propargyl) boration Reaction of ortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity
Elsa Rodríguez, Matthew N. Grayson, Amparo Asensio, Pablo Barrio, K. N. Houk and Santos Fustero
ACS Catal. 2016, 6, 2506
10. Theory and Modeling of Asymmetric Catalytic Reactions
Yu-hong Lam, Matthew N. Grayson, Mareike C. Holland, Adam Simon and K. N. Houk
Acc. Chem. Res. 2016, 49, 750
9. Cinchona alkaloid-catalyzed asymmetric conjugate additions: the bifunctional Brønsted acid–hydrogen bonding model
Matthew N. Grayson and K. N. Houk
J. Am. Chem. Soc. 2016, 138, 1170
Featured in Computational Organic Chemistry and Computational Chemistry Highlights
8. Efficient biosynthesis of fungal polyketides containing the dioxabicyclo-octane ring system
Xu-Ming Mao, Zha-Jun Zhan, Matthew N. Grayson, Man-Cheng Tang, Wei Xu, Yong-Quan Li, Wen-Bing Yin, Hsiao-Ching Lin, Yit-Heng Chooi, K. N. Houk and Yi Tang
J. Am. Chem. Soc. 2015, 137, 11904
7. Ruthenium-catalyzed asymmetric hydrohydroxyalkylation of butadiene: The role of the formyl hydrogen bond in stereochemical control
Matthew N. Grayson, Michael J. Krische and K. N. Houk
J. Am. Chem. Soc. 2015, 137, 8838
Featured in Organometallic Chemistry
6. Mechanistic insights into a BINOL-derived phosphoric acid-catalyzed asymmetric Pictet-Spengler reaction
Lois M. Overvoorde, Matthew N. Grayson, Yi Luo and Jonathan M. Goodman
J. Org. Chem. 2015, 80, 2634
5. Asymmetric Boronate Addition to o-Quinone Methides: Ligand Exchange, Solvent Effects, and Lewis Acid Catalysis
Matthew N. Grayson and Jonathan M. Goodman
J. Org. Chem. 2015, 80, 2056
Selected as a Featured Article
4. Base-Mediated Cascade Rearrangements of Aryl-Substituted Diallyl Ethers
Jolene P. Reid, Catherine A. McAdam, Adam J. S. Johnston, Matthew N. Grayson, Jonathan M. Goodman and Matthew J. Cook
J. Org. Chem. 2015, 80, 1472
Featured in Natural Product Man’s blog
3. Lewis Acid Catalysis and Ligand Exchange in the Asymmetric Binaphthol-Catalyzed Propargylation of Ketones
Matthew N. Grayson and Jonathan M. Goodman
J. Org. Chem. 2013, 78, 8796
2. Understanding the Mechanism of the Asymmetric Propargylation of Aldehydes Promoted by 1,1′-Bi-2-naphthol-Derived Catalysts
Matthew N. Grayson and Jonathan M. Goodman
J. Am. Chem. Soc. 2013, 135, 6142
1. Mechanistic Insights into the BINOL-Derived Phosphoric Acid-Catalyzed Asymmetric Allylboration of Aldehydes
Matthew N. Grayson, Silvina C. Pellegrinet and Jonathan M. Goodman
J. Am. Chem. Soc. 2012, 134, 2716
The Grayson Group 