Martin J. Field
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| Grillo IB, Bachega JFR, Timmers LFSM, et al. (2020) Theoretical characterization of the shikimate 5-dehydrogenase reaction from Mycobacterium tuberculosis by hybrid QC/MM simulations and quantum chemical descriptors. Journal of Molecular Modeling. 26: 297 |
| Pieri C, Bhattacharjee A, Barrozo A, et al. (2020) Hydrogen evolution reaction mediated by an all-sulfur trinuclear nickel complex. Chemical Communications (Cambridge, England) |
| Woodhouse J, Nass Kovacs G, Coquelle N, et al. (2020) Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nature Communications. 11: 741 |
| Hoias Teixeira M, Curtolo F, Camilo SRG, et al. (2019) Modelling the hydrolysis of iron-sulfur clusters. Journal of Chemical Information and Modeling |
| Queyriaux N, Sun D, Fize J, et al. (2019) Electrocatalytic Hydrogen Evolution with a Cobalt Complex Bearing Pendant Proton Relays: Acid Strength and Applied Potential Govern Mechanism and Stability. Journal of the American Chemical Society |
| Bhattacharjee N, Triboulet S, Dubée V, et al. (2019) Negative impact of carbapenem methylation on the reactivity of β-lactams for cysteine acylation revealed by quantum calculations and kinetic analyses. Antimicrobial Agents and Chemotherapy |
| Coquelle N, Sliwa M, Woodhouse J, et al. (2018) Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography. Nature Chemistry. 10: 31-37 |
| Zarkadoulas A, Field MJ, Artero V, et al. (2017) Proton reduction reaction catalyzed by homoleptic nickel bis-1,2-dithiolate complexes: Experimental and theoretical mechanistic investigations. Chemcatchem. 9: 2308-2317 |
| Field MJ. (2017) An Algorithm for Adaptive QC/MM Simulations. Journal of Chemical Theory and Computation. 13: 2342-2351 |
| Shaik MM, Bhattacharjee N, Feliks M, et al. (2017) Norovirus RNA-dependent RNA polymerase: A computational study of metal-binding preferences. Proteins |