Items where Author is "Williams, IH"

Journal article

ODOEMELAM, C.S., HUNTER, E., SIMMS, J., AHMAD, Z., CHANG, M.-W., PERCIVAL, B., WILLIAMS, I.H., MOLINARI, M., KAMERLIN, S.C.L. and WILSON, P.B., 2022. In silico ligand docking approaches to characterise the binding of known allosteric modulators to the glucagon-like peptide 1 receptor and prediction of ADME/Tox properties. Applied Biosciences, 1 (2), pp. 143-162. ISSN 2813-0464

ODOEMELAM, C.S., PERCIVAL, B., WALLIS, H., CHANG, M.-W., AHMAD, Z., SCHOLEY, D., BURTON, E., WILLIAMS, I.H., KAMERLIN, C.L. and WILSON, P.B., 2020. G-Protein coupled receptors: structure and function in drug discovery. RSC Advances, 10 (60), pp. 36337-36348. ISSN 2046-2069

WILSON, P.B. and WILLIAMS, I.H., 2018. Computational modeling of a caged methyl cation: structure, energetics, and vibrational analysis. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 122 (5), pp. 1432-1438. ISSN 1089-5639

WILLIAMS, I.H. and WILSON, P.B., 2017. SULISO: the Bath suite of vibrational characterization and isotope effect calculation software. SoftwareX, 6, pp. 1-6. ISSN 2352-7110

WILSON, P.B. and WILLIAMS, I.H., 2017. A computational study of the influence of methyl substituents on competitive ring closure to α- and β-lactones. Organic and Biomolecular Chemistry, 15 (34), pp. 7235-7240. ISSN 1477-0520

LEITCH, J.A., WILSON, P.B., MCMULLIN, C.L., MAHON, M.F., BHONOAH, Y., WILLIAMS, I.H. and FROST, C.G., 2016. Ruthenium(II)-catalyzed C–H functionalization using the oxazolidinone heterocycle as a weakly coordinating directing group: experimental and computational insights. ACS Catalysis, 6 (8), pp. 5520-5529. ISSN 2155-5435

WILSON, P.B. and WILLIAMS, I.H., 2016. Influence of equatorial CH⋅⋅⋅O interactions on secondary kinetic isotope effects for methyl transfer. Angewandte Chemie International Edition, 55 (9), pp. 3192-3195. ISSN 1433-7851

WILSON, P.B. and WILLIAMS, I.H., 2015. Critical evaluation of anharmonic corrections to the equilibrium isotope effect for methyl cation transfer from vacuum to dielectric continuum. Molecular Physics, 113 (13-14), pp. 1704-1711. ISSN 0026-8976

WILSON, P.B., WEAVER, P.J., GREIG, I.R. and WILLIAMS, I.H., 2015. Solvent effects on isotope effects: methyl cation as a model system. Journal of Physical Chemistry B, 119 (3), pp. 802-809. ISSN 1520-6106

Chapter in book

WILLIAMS, I.H. and WILSON, P.B., 2016. Kinetic isotope effects. In: Simulating enzyme reactivity: computational methods in enzyme catalysis. RSC theoretical and computational chemistry (9). Royal Society of Chemistry, pp. 150-184. ISBN 9781782624295